0 B6R1.2 C1=C(C=NS1)N I304272 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 C1=C(N=CS1)Br B122730 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 C1=CNNC1=O H173741 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 C1=COC(=O)O1 V107163 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 C1=COC(=O)O1 V359322 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 C1=COC(=O)O1 V399512 [0,0,0,0,0,0|3,0,1]=4 6 B6R1.2 C1=CSC=C1Br B103164 [0,0,0,0,0,0|1,0,3]=4 7 B6R1.2 C1=CSC=C1Cl C101614 [0,0,0,0,0,0|1,0,3]=4 8 B6R1.2 C1=CSC=C1F F156769 [0,0,0,0,0,0|1,0,3]=4 9 B6R1.2 C1=CSC=C1I I165643 [0,0,0,0,0,0|1,0,3]=4 10 B6R1.2 C1=CSC=C1N D303790 [0,0,0,0,0,0|1,0,3]=4 11 B6R1.2 C1=CSC=C1N T588427 [0,0,0,0,0,0|1,0,3]=4 12 B6R1.2 C1=CSSC1=S H275383 [0,0,0,0,0,0|1,1,2]=4 13 B6R1.2 C1=NNC(=O)N1 T188359 [0,0,0,0,0,0|3,0,1]=4 14 B6R1.2 C1C=CC(=O)N1 D344952 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 C1C=CC(=O)O1 F107943 [0,0,0,0,0,0|2,0,1]=3 16 B6R1.2 C1C=CC(=O)S1 H472400 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 C1C=CCC1O C141167 [0,0,0,0,0,0|1,0,3]=4 18 B6R1.2 C1C=NNC1=O H190747 [0,0,0,0,0,0|2,0,1]=3 19 B6R1.2 C1CC(=N)SC1 I106793 [0,0,0,0,0,0|3,0,0]=3 20 B6R1.2 C1CC(=N)SC1 I492458 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 C1CC(=NC1)N A151483 [0,0,0,0,0,0|3,0,0]=3 22 B6R1.2 C1CC(=O)C=C1 C139450 [0,0,0,0,0,0|1,0,1]=2 23 B6R1.2 C1CC(=O)NC1 P112692 [0,0,0,0,0,0|2,0,0]=2 24 B6R1.2 C1CC(=O)NC1 P468968 [0,0,0,0,0,0|2,0,0]=2 25 B6R1.2 C1CC(=O)SC1 T472178 [0,0,0,0,0,0|2,0,0]=2 26 B6R1.2 C1CC(OC1)O H355199 [0,0,0,0,0,0|2,0,2]=4 27 B6R1.2 C1CCC(=O)C1 C108566 [0,0,0,0,0,0|1,0,0]=1 28 B6R1.2 C1CCC(=O)C1 C108567 [0,0,0,0,0,0|1,0,0]=1 29 B6R1.2 C1CCC(=O)C1 C108568 [0,0,0,0,0,0|1,0,0]=1 30 B6R1.2 C1CCC(=O)C1 C108569 [0,0,0,0,0,0|1,0,0]=1 31 B6R1.2 C1CCC(C1)Br C105791 [0,0,0,0,0,0|2,0,1]=3 32 B6R1.2 C1CCC(C1)Cl C153546 [0,0,0,0,0,0|2,0,1]=3 33 B6R1.2 C1CCC(C1)F F156721 [0,0,0,0,0,0|2,0,1]=3 34 B6R1.2 C1CCC(C1)I I167554 [0,0,0,0,0,0|2,0,1]=3 35 B6R1.2 C1CCC(C1)N C111427 [0,0,0,0,0,0|2,0,1]=3 36 B6R1.2 C1CCC(C1)O C110398 [0,0,0,0,0,0|1,0,2]=3 37 B6R1.2 C1CCC(C1)S C106982 [0,0,0,0,0,0|1,1,1]=3 38 B6R1.2 C1CCS(=O)C1 T162808 [0,0,0,0,0,0|2,0,0]=2 39 B6R1.2 C1CNC(=O)N1 I157588 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 C1CNC(=O)N1 I299072 [0,0,0,0,0,0|3,0,0]=3 41 B6R1.2 C1CNC(=S)N1 BWY396872 [0,0,0,0,0,0|3,1,0]=4 42 B6R1.2 C1CNC(=S)N1 BWY396877 [0,0,0,0,0,0|3,1,0]=4 43 B6R1.2 C1CNC(=S)N1 I109215 [0,0,0,0,0,0|3,1,0]=4 44 B6R1.2 C1CNCC1=O P176320 [0,0,0,0,0,0|1,0,0]=1 45 B6R1.2 C1CNCC1Br B166798 [0,0,0,0,0,0|2,0,1]=3 46 B6R1.2 C1CNCC1F I167099 [0,0,0,0,0,0|2,0,1]=3 47 B6R1.2 C1CNCC1F I167100 [0,0,0,0,0,0|2,0,1]=3 48 B6R1.2 C1CNCC1N A128215 [0,0,0,0,0,0|2,0,1]=3 49 B6R1.2 C1CNCC1N R115472 [0,0,0,0,0,0|2,0,1]=3 50 B6R1.2 C1CNCC1N S115473 [0,0,0,0,0,0|2,0,1]=3 51 B6R1.2 C1CNCC1O H115463 [0,0,0,0,0,0|1,0,2]=3 52 B6R1.2 C1CNCC1O H187203 [0,0,0,0,0,0|1,0,2]=3 53 B6R1.2 C1CNCC1O P121669 [0,0,0,0,0,0|1,0,2]=3 54 B6R1.2 C1CNCC1O P128587 [0,0,0,0,0,0|1,0,2]=3 55 B6R1.2 C1CNCC1O S115471 [0,0,0,0,0,0|1,0,2]=3 56 B6R1.2 C1CNCC1O S161346 [0,0,0,0,0,0|1,0,2]=3 57 B6R1.2 C1COC(=O)N1 O133460 [0,0,0,0,0,0|3,0,0]=3 58 B6R1.2 C1COC(=O)O1 E105727 [0,0,0,0,0,0|3,0,0]=3 59 B6R1.2 C1COC(=O)O1 E105728 [0,0,0,0,0,0|3,0,0]=3 60 B6R1.2 C1COC(=S)N1 B301323 [0,0,0,0,0,0|3,1,0]=4 61 B6R1.2 C1COCC1=O T161567 [0,0,0,0,0,0|0,1,0]=1 62 B6R1.2 C1COCC1Br B175379 [0,0,0,0,0,0|1,1,1]=3 63 B6R1.2 C1COCC1I I172597 [0,0,0,0,0,0|1,1,1]=3 64 B6R1.2 C1COCC1N A120073 [0,0,0,0,0,0|1,1,1]=3 65 B6R1.2 C1COCC1N I165729 [0,0,0,0,0,0|1,1,1]=3 66 B6R1.2 C1COCC1N S135580 [0,0,0,0,0,0|1,1,1]=3 67 B6R1.2 C1COCC1N T123495 [0,0,0,0,0,0|1,1,1]=3 68 B6R1.2 C1COCC1O H107942 [0,0,0,0,0,0|0,1,2]=3 69 B6R1.2 C1COCC1O H110275 [0,0,0,0,0,0|0,1,2]=3 70 B6R1.2 C1COCC1O H119958 [0,0,0,0,0,0|0,1,2]=3 71 B6R1.2 C1COS(=O)O1 G120334 [0,0,0,0,0,0|4,0,0]=4 72 B6R1.2 C1CSC(=N1)N A305205 [0,0,0,0,0,0|4,0,0]=4 73 B6R1.2 C1CSC(=O)N1 T192435 [0,0,0,0,0,0|3,0,0]=3 74 B6R1.2 C1CSC(=S)N1 T122399 [0,0,0,0,0,0|3,1,0]=4 75 B6R1.2 C1CSC(=S)S1 E124195 [0,0,0,0,0,0|3,1,0]=4 76 B6R1.2 C1CSCC1=O D106839 [0,0,0,0,0,0|0,0,0]=0 77 B6R1.2 C=C1CCCC1 M158228 [0,0,0,0,0,0|2,0,0]=2 78 B6R1.2 CC1=CCCC1 M158230 [0,0,0,0,0,0|2,0,1]=3 79 B6R1.2 CC1=CSC=C1 M113676 [0,0,0,0,0,0|1,0,3]=4 80 B6R1.2 CC1=CSC=N1 M103108 [0,0,0,0,0,0|2,0,2]=4 81 B6R1.2 CC1=NCCC1 M187405 [0,0,0,0,0,0|3,0,0]=3 82 B6R1.2 CC1=NCCN1 M158525 [0,0,0,0,0,0|4,0,0]=4 83 B6R1.2 CC1=NCCO1 M158497 [0,0,0,0,0,0|4,0,0]=4 84 B6R1.2 CC1=NCCS1 M103076 [0,0,0,0,0,0|4,0,0]=4 85 B6R1.2 CC1CCCC1 M101586 [0,0,0,0,0,0|2,0,1]=3 86 B6R1.2 CC1CCCC1 M101587 [0,0,0,0,0,0|2,0,1]=3 87 B6R1.2 CC1CCCC1 M101588 [0,0,0,0,0,0|2,0,1]=3 88 B6R1.2 CC1CCCN1 M121645 [0,0,0,0,0,0|3,0,1]=4 89 B6R1.2 CC1CCCN1 M341863 [0,0,0,0,0,0|3,0,1]=4 90 B6R1.2 CC1CCCN1 R173510 [0,0,0,0,0,0|3,0,1]=4 91 B6R1.2 CC1CCCN1 S589595 [0,0,0,0,0,0|3,0,1]=4 92 B6R1.2 CC1CCCO1 M106688 [0,0,0,0,0,0|3,0,1]=4 93 B6R1.2 CC1CCCO1 M106689 [0,0,0,0,0,0|3,0,1]=4 94 B6R1.2 CC1CCCO1 M119683 [0,0,0,0,0,0|3,0,1]=4 95 B6R1.2 CC1CCCO1 M298963 [0,0,0,0,0,0|3,0,1]=4 96 B6R1.2 CC1CCCS1 M138391 [0,0,0,0,0,0|3,0,1]=4 97 B6R1.2 CC1CCNC1 S175305 [0,0,0,0,0,0|2,0,1]=3 98 B6R1.2 CC1CCOC1 M302425 [0,0,0,0,0,0|1,1,1]=3 99 B6R1.2 CC1COCO1 M158513 [0,0,0,0,0,0|2,1,1]=4 100 B6R1.2 CN1CCCC1 M109523 [0,0,0,0,0,0|3,0,0]=3 101 B5R1.1 C1=CSC=C1 T108258 [1,0,0,0,0,0|0,0,3]=4 102 B5R1.1 C1=CSC=C1 T108259 [1,0,0,0,0,0|0,0,3]=4 103 B5R1.1 C1=CSC=N1 T122421 [1,0,0,0,0,0|1,0,2]=4 104 B5R1.1 C1=CSN=C1 I157521 [1,0,0,0,0,0|1,0,2]=4 105 B5R1.1 C1C=CC=[C-]1 B283543 [1,0,0,0,0,0|1,0,2]=4 106 B5R1.1 C1C=CC=[C-]1 H157415 [1,0,0,0,0,0|1,0,2]=4 107 B5R1.1 C1C=CC=[C-]1 T106759 [1,0,0,0,0,0|1,0,2]=4 108 B5R1.1 C1C=CCN1 D139123 [1,0,0,0,0,0|1,0,1]=3 109 B5R1.1 C1C=CCN1 p103550 [1,0,0,0,0,0|1,0,1]=3 110 B5R1.1 C1C=CCO1 D101471 [1,0,0,0,0,0|0,1,1]=3 111 B5R1.1 C1CC=CC1 C104477 [1,0,0,0,0,0|1,0,1]=3 112 B5R1.1 C1CC=CC1 C104479 [1,0,0,0,0,0|1,0,1]=3 113 B5R1.1 C1CC=CC1 C104480 [1,0,0,0,0,0|1,0,1]=3 114 B5R1.1 C1CCCC1 C103394 [1,0,0,0,0,0|1,0,1]=3 115 B5R1.1 C1CCCC1 C103397 [1,0,0,0,0,0|1,0,1]=3 116 B5R1.1 C1CCCC1 C103398 [1,0,0,0,0,0|1,0,1]=3 117 B5R1.1 C1CCCC1 C103399 [1,0,0,0,0,0|1,0,1]=3 118 B5R1.1 C1CCCC1 C103400 [1,0,0,0,0,0|1,0,1]=3 119 B5R1.1 C1CCCC1 C139938 [1,0,0,0,0,0|1,0,1]=3 120 B5R1.1 C1CCNC1 P108562 [1,0,0,0,0,0|1,0,1]=3 121 B5R1.1 C1CCNC1 P160143 [1,0,0,0,0,0|1,0,1]=3 122 B5R1.1 C1CCNC1 P160705 [1,0,0,0,0,0|1,0,1]=3 123 B5R1.1 C1CCNC1 P301661 [1,0,0,0,0,0|1,0,1]=3 124 B5R1.1 C1CCOC1 B110263 [1,0,0,0,0,0|0,1,1]=3 125 B5R1.1 C1CCOC1 B300059 [1,0,0,0,0,0|0,1,1]=3 126 B5R1.1 C1CCOC1 C333316 [1,0,0,0,0,0|0,1,1]=3 127 B5R1.1 C1CCOC1 T102271 [1,0,0,0,0,0|0,1,1]=3 128 B5R1.1 C1CCOC1 T102272 [1,0,0,0,0,0|0,1,1]=3 129 B5R1.1 C1CCOC1 T103259 [1,0,0,0,0,0|0,1,1]=3 130 B5R1.1 C1CCOC1 T103260 [1,0,0,0,0,0|0,1,1]=3 131 B5R1.1 C1CCOC1 T103262 [1,0,0,0,0,0|0,1,1]=3 132 B5R1.1 C1CCOC1 T103263 [1,0,0,0,0,0|0,1,1]=3 133 B5R1.1 C1CCOC1 T103264 [1,0,0,0,0,0|0,1,1]=3 134 B5R1.1 C1CCOC1 T103266 [1,0,0,0,0,0|0,1,1]=3 135 B5R1.1 C1CCOC1 T120775 [1,0,0,0,0,0|0,1,1]=3 136 B5R1.1 C1CCOC1 T282609 [1,0,0,0,0,0|0,1,1]=3 137 B5R1.1 C1CCOC1 T303408 [1,0,0,0,0,0|0,1,1]=3 138 B5R1.1 C1CCOC1 T407518 [1,0,0,0,0,0|0,1,1]=3 139 B5R1.1 C1CCOC1 T431414 [1,0,0,0,0,0|0,1,1]=3 140 B5R1.1 C1CCSC1 T107485 [1,0,0,0,0,0|0,0,1]=2 141 B5R1.1 C1CC[CH-]C1 C466404 [1,0,0,0,0,0|1,0,1]=3 142 B5R1.1 C1CNOC1 I157665 [1,0,0,0,0,0|1,1,1]=4 143 B5R1.1 C1COC=C1 D106435 [1,0,0,0,0,0|0,1,1]=3 144 B5R1.1 C1COCO1 D105894 [1,0,0,0,0,0|1,1,0]=3 145 B5R1.1 C1COCO1 D105895 [1,0,0,0,0,0|1,1,0]=3 146 B5R1.1 C1COCO1 D119723 [1,0,0,0,0,0|1,1,0]=3 147 B5R1.1 C1CSCN1 T101324 [1,0,0,0,0,0|1,0,0]=2 148 B7R1.1 C1=C(N=CS1)C=O T135085 [0,1,0,0,0,0|1,0,2]=4 149 B7R1.1 C1=CSC=C1C=O T115194 [0,1,0,0,0,0|0,0,3]=4 150 B7R1.1 C1CC(OC1)C=O T479472 [0,1,0,0,0,0|2,0,1]=4 151 B7R1.1 C1CC=C(C1)C=O C304145 [0,1,0,0,0,0|1,0,1]=3 152 B7R1.1 C1CCC(=NO)C1 C138083 [0,1,0,0,0,0|1,0,1]=3 153 B7R1.1 C1CCC(C1)C#N C124215 [0,1,0,0,0,0|2,0,1]=4 154 B7R1.1 C1CCC(C1)C=O C122650 [0,1,0,0,0,0|1,0,1]=3 155 B7R1.1 C1CCC(C1)CBr B184164 [0,1,0,0,0,0|2,0,1]=4 156 B7R1.1 C1CCC(C1)CI I169233 [0,1,0,0,0,0|2,0,1]=4 157 B7R1.1 C1CCC(C1)CN C176870 [0,1,0,0,0,0|2,0,1]=4 158 B7R1.1 C1CCC(C1)CO C121238 [0,1,0,0,0,0|1,0,2]=4 159 B7R1.1 C1CCC(C1)NN C168940 [0,1,0,0,0,0|2,0,1]=4 160 B7R1.1 C1CCN(C1)C#N P160518 [0,1,0,0,0,0|3,0,0]=4 161 B7R1.1 C1CCN(C1)C=O F469140 [0,1,0,0,0,0|2,0,0]=3 162 B7R1.1 C1CCN(C1)N=O N111145 [0,1,0,0,0,0|2,0,0]=3 163 B7R1.1 C1CCN(C1)N=O N114388 [0,1,0,0,0,0|2,0,0]=3 164 B7R1.1 C1CNCC1C#N P172391 [0,1,0,0,0,0|2,0,1]=4 165 B7R1.1 C1CNCC1C#N R172183 [0,1,0,0,0,0|2,0,1]=4 166 B7R1.1 C1CNCC1C#N S172182 [0,1,0,0,0,0|2,0,1]=4 167 B7R1.1 C1COCC1C=O T304657 [0,1,0,0,0,0|0,1,1]=3 168 B7R1.1 C1COCC1CBr B174868 [0,1,0,0,0,0|1,1,1]=4 169 B7R1.1 C1COCC1CN A167762 [0,1,0,0,0,0|1,1,1]=4 170 B7R1.1 C1COCC1CN A168112 [0,1,0,0,0,0|1,1,1]=4 171 B7R1.1 C1COCC1CO T136105 [0,1,0,0,0,0|0,1,2]=4 172 B7R1.1 CCC1CCCC1 E156243 [0,1,0,0,0,0|2,0,1]=4 173 B7R1.1 CCN1CCCC1 E156259 [0,1,0,0,0,0|3,0,0]=4 174 B7R1.1 CNC1CCNC1 M124586 [0,1,0,0,0,0|2,0,1]=4 175 B7R1.1 COC1CCCC1 C102202 [0,1,0,0,0,0|1,0,2]=4 176 B7R1.1 COC1CCCC1 C119688 [0,1,0,0,0,0|1,0,2]=4 177 B7R1.1 COC1CCCC1 C298967 [0,1,0,0,0,0|1,0,2]=4 178 B7R1.1 COC1CCNC1 R176558 [0,1,0,0,0,0|1,0,2]=4 179 B7R1.1 COC1CCNC1 S177181 [0,1,0,0,0,0|1,0,2]=4 180 B7R1.1 COC1CCNC1 S586566 [0,1,0,0,0,0|1,0,2]=4 181 B7R1.1 [C-]#[N+]C1CCCC1 C153259 [0,1,0,0,0,0|2,0,1]=4 182 B7R1.2 C1=C(SNC1=O)Cl C588436 [0,1,0,0,0,0|1,0,2]=4 183 B7R1.2 C1=CC(=O)OC1O H302820 [0,1,0,0,0,0|2,0,1]=4 184 B7R1.2 C1C(=CC(=O)O1)O T103765 [0,1,0,0,0,0|2,0,1]=4 185 B7R1.2 C1C(=O)C=CC1=O C356087 [0,1,0,0,0,0|1,0,2]=4 186 B7R1.2 C1C(=O)COC1=O T101326 [0,1,0,0,0,0|0,1,1]=3 187 B7R1.2 C1C(=O)N=C(S1)N A168665 [0,1,0,0,0,0|1,0,1]=3 188 B7R1.2 C1C(=O)N=C(S1)N A193919 [0,1,0,0,0,0|1,0,1]=3 189 B7R1.2 C1C(=O)NC(=O)N1 H100923 [0,1,0,0,0,0|2,0,1]=4 190 B7R1.2 C1C(=O)NC(=O)S1 T109725 [0,1,0,0,0,0|1,0,1]=3 191 B7R1.2 C1C(=O)NC(=S)N1 T135932 [0,1,0,0,0,0|2,0,1]=4 192 B7R1.2 C1C(=O)NC(=S)S1 R104132 [0,1,0,0,0,0|1,0,1]=3 193 B7R1.2 C1C(=O)NC(=S)S1 R104133 [0,1,0,0,0,0|1,0,1]=3 194 B7R1.2 C1C(=O)OC(=O)N1 O132967 [0,1,0,0,0,0|2,0,1]=4 195 B7R1.2 C1C(C=CC1=O)O H492879 [0,1,0,0,0,0|1,0,1]=3 196 B7R1.2 C1C(CNC1=O)N A587603 [0,1,0,0,0,0|2,0,0]=3 197 B7R1.2 C1C(CNC1=O)O H119311 [0,1,0,0,0,0|2,0,0]=3 198 B7R1.2 C1C(CNC1=O)O H119312 [0,1,0,0,0,0|2,0,0]=3 199 B7R1.2 C1C(CNC1=O)O H183207 [0,1,0,0,0,0|2,0,0]=3 200 B7R1.2 C1C(COC1=O)N R189910 [0,1,0,0,0,0|2,0,0]=3 201 B7R1.2 C1C(COC1=O)N S189909 [0,1,0,0,0,0|2,0,0]=3 202 B7R1.2 C1C(COC1=O)O H107941 [0,1,0,0,0,0|2,0,0]=3 203 B7R1.2 C1C(OC(=O)O1)Cl C154009 [0,1,0,0,0,0|3,0,0]=4 204 B7R1.2 C1C(OC(=O)O1)Cl C298772 [0,1,0,0,0,0|3,0,0]=4 205 B7R1.2 C1C(OC(=O)O1)F F120339 [0,1,0,0,0,0|3,0,0]=4 206 B7R1.2 C1CC(=O)CC1=O C138777 [0,1,0,0,0,0|1,0,0]=2 207 B7R1.2 C1CC(=O)NC1=O S104077 [0,1,0,0,0,0|2,0,0]=3 208 B7R1.2 C1CC(=O)NC1=O S104079 [0,1,0,0,0,0|2,0,0]=3 209 B7R1.2 C1CC(=O)OC1=O S104823 [0,1,0,0,0,0|2,0,0]=3 210 B7R1.2 C1CC(=O)OC1=O S104824 [0,1,0,0,0,0|2,0,0]=3 211 B7R1.2 C1CC(CC1N)O R173195 [0,1,0,0,0,0|1,0,2]=4 212 B7R1.2 C1CC(CC1N)O S587381 [0,1,0,0,0,0|1,0,2]=4 213 B7R1.2 C1CC(CC1N)O T172883 [0,1,0,0,0,0|1,0,2]=4 214 B7R1.2 C1CC(CC1O)O C153245 [0,1,0,0,0,0|1,0,2]=4 215 B7R1.2 CC1=CC(=O)CC1 M109537 [0,1,0,0,0,0|1,0,1]=3 216 B7R1.2 CC1=CC(=O)OC1 M158202 [0,1,0,0,0,0|2,0,1]=4 217 B7R1.2 CC1=CCC(=O)O1 A151155 [0,1,0,0,0,0|2,0,1]=4 218 B7R1.2 CC1=CCC(=O)O1 A433012 [0,1,0,0,0,0|2,0,1]=4 219 B7R1.2 CC1=NNC(=O)C1 M121614 [0,1,0,0,0,0|2,0,1]=4 220 B7R1.2 CC1CCC(=O)C1 M113659 [0,1,0,0,0,0|1,0,0]=2 221 B7R1.2 CC1CCC(=O)N1 M158429 [0,1,0,0,0,0|2,0,0]=3 222 B7R1.2 CC1CCC(=O)O1 V106294 [0,1,0,0,0,0|2,0,0]=3 223 B7R1.2 CC1CCC(C1)O M351118 [0,1,0,0,0,0|1,0,2]=4 224 B7R1.2 CC1COC(=O)O1 P105723 [0,1,0,0,0,0|3,0,0]=4 225 B7R1.2 CC1COC(=O)O1 P105724 [0,1,0,0,0,0|3,0,0]=4 226 B7R1.2 CC1COC(=O)O1 P105725 [0,1,0,0,0,0|3,0,0]=4 227 B7R1.2 CC1COC(=O)O1 P105726 [0,1,0,0,0,0|3,0,0]=4 228 B7R1.2 CC1COC(=O)O1 P122960 [0,1,0,0,0,0|3,0,0]=4 229 B7R1.2 CC1COC(=O)O1 S135940 [0,1,0,0,0,0|3,0,0]=4 230 B7R1.2 CN1CCC(=O)C1 M343187 [0,1,0,0,0,0|1,0,0]=2 231 B7R1.2 CN1CCC(C1)N M173360 [0,1,0,0,0,0|2,0,1]=4 232 B7R1.2 CN1CCC(C1)O M107932 [0,1,0,0,0,0|1,0,2]=4 233 B7R1.2 CN1CCC(C1)O M119144 [0,1,0,0,0,0|1,0,2]=4 234 B7R1.2 CN1CCC(C1)O M121670 [0,1,0,0,0,0|1,0,2]=4 235 B7R1.4 C1C(C(=O)NO1)N C108718 [0,1,0,0,0,0|1,1,0]=3 236 B7R1.4 C1C(C(=O)NO1)N D136996 [0,1,0,0,0,0|1,1,0]=3 237 B7R1.4 C1C(C(=O)NO1)N D425443 [0,1,0,0,0,0|1,1,0]=3 238 B7R1.4 C1C(C(=O)NO1)N L423473 [0,1,0,0,0,0|1,1,0]=3 239 B7R1.4 C1C(C(=O)NO1)N S136251 [0,1,0,0,0,0|1,1,0]=3 240 B7R1.4 C1C(C(CN1)F)F C177782 [0,1,0,0,0,0|2,0,1]=4 241 B7R1.4 C1C(C(CN1)O)O C175295 [0,1,0,0,0,0|1,0,2]=4 242 B7R1.4 C1C(C(CN1)O)O P108071 [0,1,0,0,0,0|1,0,2]=4 243 B7R1.4 C1C(C(CN1)O)O P108072 [0,1,0,0,0,0|1,0,2]=4 244 B7R1.4 C1C(C(CN1)O)O P108073 [0,1,0,0,0,0|1,0,2]=4 245 B7R1.4 C1C(C(CN1)O)O S178122 [0,1,0,0,0,0|1,0,2]=4 246 B7R1.4 C1C(C(CO1)O)N A587267 [0,1,0,0,0,0|0,1,2]=4 247 B7R1.4 C1C(C(CO1)O)O A151297 [0,1,0,0,0,0|0,1,2]=4 248 B7R1.4 C1CC(=O)C(=C1)O H189495 [0,1,0,0,0,0|1,0,1]=3 249 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,1,0,0,0,0|1,0,0]=2 250 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,1,0,0,0,0|1,0,0]=2 251 B7R1.4 C1CC(C(C1)Br)Br T332825 [0,1,0,0,0,0|2,0,1]=4 252 B7R1.4 C1CC(C(C1)N)N C588671 [0,1,0,0,0,0|2,0,1]=4 253 B7R1.4 C1CC(C(C1)O)N A101741 [0,1,0,0,0,0|1,0,2]=4 254 B7R1.4 C1CC(C(C1)O)N A101751 [0,1,0,0,0,0|1,0,2]=4 255 B7R1.4 C1CC(C(C1)O)N A187867 [0,1,0,0,0,0|1,0,2]=4 256 B7R1.4 C1CC(C(C1)O)N C348612 [0,1,0,0,0,0|1,0,2]=4 257 B7R1.4 C1CC(C(C1)O)N I168764 [0,1,0,0,0,0|1,0,2]=4 258 B7R1.4 C1CC(C(C1)O)N R465237 [0,1,0,0,0,0|1,0,2]=4 259 B7R1.4 C1CC(C(C1)O)O I170645 [0,1,0,0,0,0|1,0,2]=4 260 B7R1.4 C1CC(C(C1)O)O T471195 [0,1,0,0,0,0|1,0,2]=4 261 B7R1.4 C1CNC(=O)C1O H486731 [0,1,0,0,0,0|2,0,0]=3 262 B7R1.4 C1COC(=O)C1Br B107924 [0,1,0,0,0,0|2,0,0]=3 263 B7R1.4 C1COC(=O)C1N A101211 [0,1,0,0,0,0|2,0,0]=3 264 B7R1.4 C1COC(=O)C1N I167498 [0,1,0,0,0,0|2,0,0]=3 265 B7R1.4 C1COC(=O)C1N R137962 [0,1,0,0,0,0|2,0,0]=3 266 B7R1.4 C1COC(=O)C1O H113417 [0,1,0,0,0,0|2,0,0]=3 267 B7R1.4 C1COC(=O)C1O R591020 [0,1,0,0,0,0|2,0,0]=3 268 B7R1.4 C1COC(=O)C1O S161076 [0,1,0,0,0,0|2,0,0]=3 269 B7R1.4 C1COC(=O)N1N A114272 [0,1,0,0,0,0|3,0,0]=4 270 B7R1.4 C1COC(C1Cl)Cl D155242 [0,1,0,0,0,0|1,1,1]=4 271 B7R1.4 C1CSC(=O)C1N H108030 [0,1,0,0,0,0|2,0,0]=3 272 B7R1.4 C1CSC(=O)C1N S169532 [0,1,0,0,0,0|2,0,0]=3 273 B7R1.4 C=C1CCOC1=O M108009 [0,1,0,0,0,0|1,1,1]=4 274 B7R1.4 CC1=CCCC1=O M165952 [0,1,0,0,0,0|1,0,1]=3 275 B7R1.4 CC1=CCOC1=O M158201 [0,1,0,0,0,0|2,0,1]=4 276 B7R1.4 CC1C(=O)CCO1 M102944 [0,1,0,0,0,0|0,1,0]=2 277 B7R1.4 CC1C(=O)CCS1 M102985 [0,1,0,0,0,0|0,0,0]=1 278 B7R1.4 CC1C(CCO1)S M102916 [0,1,0,0,0,0|0,2,1]=4 279 B7R1.4 CC1CCCC1=O M138029 [0,1,0,0,0,0|1,0,0]=2 280 B7R1.4 CC1CCCC1O B300625 [0,1,0,0,0,0|1,0,2]=4 281 B7R1.4 CC1CCOC1=O A151225 [0,1,0,0,0,0|2,0,0]=3 282 B7R1.4 CN1C(=O)C=CS1 M110103 [0,1,0,0,0,0|1,0,2]=4 283 B7R1.4 CN1C(=O)C=CS1 M132907 [0,1,0,0,0,0|1,0,2]=4 284 B7R1.4 CN1C(=O)CC=N1 M586169 [0,1,0,0,0,0|2,0,1]=4 285 B7R1.4 CN1CCCC1=O M100588 [0,1,0,0,0,0|2,0,0]=3 286 B7R1.4 CN1CCCC1=O M100589 [0,1,0,0,0,0|2,0,0]=3 287 B7R1.4 CN1CCCC1=O M100590 [0,1,0,0,0,0|2,0,0]=3 288 B7R1.4 CN1CCCC1=O M103246 [0,1,0,0,0,0|2,0,0]=3 289 B7R1.4 CN1CCCC1=O M103247 [0,1,0,0,0,0|2,0,0]=3 290 B7R1.4 CN1CCCC1=O M103248 [0,1,0,0,0,0|2,0,0]=3 291 B7R1.4 CN1CCCC1=O M103250 [0,1,0,0,0,0|2,0,0]=3 292 B7R1.4 CN1CCCC1=O M119668 [0,1,0,0,0,0|2,0,0]=3 293 B7R1.4 CN1CCCC1=O M434296 [0,1,0,0,0,0|2,0,0]=3 294 B7R1.4 CN1CCCC1=S M140448 [0,1,0,0,0,0|2,1,0]=4 295 B7R1.4 CN1CCNC1=O M304416 [0,1,0,0,0,0|3,0,0]=4 296 B7R1.4 CN1CCOC1=O M132701 [0,1,0,0,0,0|3,0,0]=4 297 B7R1.14 C1C=CCS1(=O)=O S161353 [0,1,0,0,0,0|2,0,1]=4 298 B7R1.14 C1CCS(=O)(=O)C1 S110939 [0,1,0,0,0,0|2,0,0]=3 299 B7R1.14 C1CCS(=O)(=O)C1 S110940 [0,1,0,0,0,0|2,0,0]=3 300 B7R1.14 C1CCS(=O)(=O)C1 S110941 [0,1,0,0,0,0|2,0,0]=3 301 B7R1.14 C1CCS(=O)(=O)C1 S110942 [0,1,0,0,0,0|2,0,0]=3 302 B7R1.14 C1CCS(=O)(=O)C1 S357666 [0,1,0,0,0,0|2,0,0]=3 303 B7R1.14 C1CC[Si](C1)(Cl)Cl C303163 [0,1,0,0,0,0|2,1,0]=4 304 B7R1.14 C1CNCC1(F)F D578746 [0,1,0,0,0,0|2,0,1]=4 305 B7R1.14 C1CNCC1(F)F W132499 [0,1,0,0,0,0|2,0,1]=4 306 B7R1.14 C1CNS(=O)(=O)C1 P185427 [0,1,0,0,0,0|3,0,0]=4 307 B7R1.14 C1COS(=O)(=O)C1 P105652 [0,1,0,0,0,0|3,0,0]=4 308 B7R1.14 CC1(CCCC1)N A468531 [0,1,0,0,0,0|2,0,1]=4 309 B7R1.14 CC1(CCCC1)O M101087 [0,1,0,0,0,0|1,0,2]=4 310 B7R1.14 CC1(CCNC1)C D177478 [0,1,0,0,0,0|2,0,1]=4 311 B7R1.14 CC1(CCNC1)O M172930 [0,1,0,0,0,0|1,0,2]=4 312 B7R1.14 C[Si]1(CCCC1)C D189579 [0,1,0,0,0,0|2,1,0]=4 313 B5R0.1 C#CCC(=O)O B168856 [0,0,1,0,0,0|2,0,1]=4 314 B5R0.1 C(C#N)C(=O)N C101310 [0,0,1,0,0,0|2,0,1]=4 315 B5R0.1 C(C#N)C(=O)O C105698 [0,0,1,0,0,0|2,0,1]=4 316 B5R0.1 C(C#N)C(=O)[O-] S586305 [0,0,1,0,0,0|2,0,1]=4 317 B5R0.1 C(C(=O)O)ON C109697 [0,0,1,0,0,0|2,1,0]=4 318 B5R0.1 C(CBr)C(=O)Cl B135557 [0,0,1,0,0,0|2,0,0]=3 319 B5R0.1 C(CBr)C(=O)N B152335 [0,0,1,0,0,0|2,0,0]=3 320 B5R0.1 C(CBr)C(=O)O B106081 [0,0,1,0,0,0|2,0,0]=3 321 B5R0.1 C(CCl)C(=O)Cl C109466 [0,0,1,0,0,0|2,0,0]=3 322 B5R0.1 C(CCl)C(=O)N C171099 [0,0,1,0,0,0|2,0,0]=3 323 B5R0.1 C(CCl)C(=O)O C106515 [0,0,1,0,0,0|2,0,0]=3 324 B5R0.1 C(CI)C(=O)O I157542 [0,0,1,0,0,0|2,0,0]=3 325 B5R0.1 C(CN)C(=O)N B135870 [0,0,1,0,0,0|2,0,0]=3 326 B5R0.1 C(CN)C(=O)O A105703 [0,0,1,0,0,0|2,0,0]=3 327 B5R0.1 C(CN)C(=O)O A137901 [0,0,1,0,0,0|2,0,0]=3 328 B5R0.1 C(CN)C(=O)O A494514 [0,0,1,0,0,0|2,0,0]=3 329 B5R0.1 C(CO)C(=O)O H136635 [0,0,1,0,0,0|1,1,0]=3 330 B5R0.1 C(CO)[N+](=O)[O-] N110256 [0,0,1,0,0,0|2,1,0]=4 331 B5R0.1 C(CS(=O)O)N H303371 [0,0,1,0,0,0|3,0,0]=4 332 B5R0.1 C(CS)C(=O)O M103035 [0,0,1,0,0,0|1,0,0]=2 333 B5R0.1 C(CS)C(=O)O M103036 [0,0,1,0,0,0|1,0,0]=2 334 B5R0.1 C(CS)C(=O)O M590994 [0,0,1,0,0,0|1,0,0]=2 335 B5R0.1 C(OC(=O)Cl)Cl C153890 [0,0,1,0,0,0|3,0,0]=4 336 B5R0.1 C=CCC(=O)O B152769 [0,0,1,0,0,0|2,0,1]=4 337 B5R0.1 C=CCC(=O)O B152771 [0,0,1,0,0,0|2,0,1]=4 338 B5R0.1 CC#CC(=O)O B113384 [0,0,1,0,0,0|2,0,1]=4 339 B5R0.1 CC(=C)CCO M158231 [0,0,1,0,0,0|1,1,0]=3 340 B5R0.1 CC(=CCBr)C D104495 [0,0,1,0,0,0|2,0,1]=4 341 B5R0.1 CC(=CCBr)C D104497 [0,0,1,0,0,0|2,0,1]=4 342 B5R0.1 CC(=CCCl)C C189147 [0,0,1,0,0,0|2,0,1]=4 343 B5R0.1 CC(=CCCl)C C638572 [0,0,1,0,0,0|2,0,1]=4 344 B5R0.1 CC(=CCO)C M106454 [0,0,1,0,0,0|1,1,1]=4 345 B5R0.1 CC(=CCO)C M106455 [0,0,1,0,0,0|1,1,1]=4 346 B5R0.1 CC(=O)CCO H106330 [0,0,1,0,0,0|0,1,0]=2 347 B5R0.1 CC(=O)COC M158844 [0,0,1,0,0,0|0,1,0]=2 348 B5R0.1 CC(=O)NC=C N159504 [0,0,1,0,0,0|2,0,1]=4 349 B5R0.1 CC(=O)NCO A151630 [0,0,1,0,0,0|1,1,0]=3 350 B5R0.1 CC(=O)OC=C P101483 [0,0,1,0,0,0|2,0,1]=4 351 B5R0.1 CC(=O)OC=C P101485 [0,0,1,0,0,0|2,0,1]=4 352 B5R0.1 CC(=O)OC=C P101486 [0,0,1,0,0,0|2,0,1]=4 353 B5R0.1 CC(=O)OC=C P301634 [0,0,1,0,0,0|2,0,1]=4 354 B5R0.1 CC(=O)OC=C P304876 [0,0,1,0,0,0|2,0,1]=4 355 B5R0.1 CC(=O)OC=C P304877 [0,0,1,0,0,0|2,0,1]=4 356 B5R0.1 CC(=O)OC=C P304879 [0,0,1,0,0,0|2,0,1]=4 357 B5R0.1 CC(=O)OC=C P304880 [0,0,1,0,0,0|2,0,1]=4 358 B5R0.1 CC(=O)OC=C P304881 [0,0,1,0,0,0|2,0,1]=4 359 B5R0.1 CC(=O)OC=C P432376 [0,0,1,0,0,0|2,0,1]=4 360 B5R0.1 CC(=O)OC=C P489072 [0,0,1,0,0,0|2,0,1]=4 361 B5R0.1 CC(=O)OC=C V104470 [0,0,1,0,0,0|2,0,1]=4 362 B5R0.1 CC(=O)OC=C V104471 [0,0,1,0,0,0|2,0,1]=4 363 B5R0.1 CC(=O)OC=C V104472 [0,0,1,0,0,0|2,0,1]=4 364 B5R0.1 CC(=O)OCBr B122544 [0,0,1,0,0,0|2,0,0]=3 365 B5R0.1 CC(=O)OCCl C194261 [0,0,1,0,0,0|2,0,0]=3 366 B5R0.1 CC(C)CCBr I109279 [0,0,1,0,0,0|2,0,1]=4 367 B5R0.1 CC(C)CCCl C105682 [0,0,1,0,0,0|2,0,1]=4 368 B5R0.1 CC(C)CCI I100674 [0,0,1,0,0,0|2,0,1]=4 369 B5R0.1 CC(C)CCN I109581 [0,0,1,0,0,0|2,0,1]=4 370 B5R0.1 CC(C)CCN I404590 [0,0,1,0,0,0|2,0,1]=4 371 B5R0.1 CC(C)CCO M116196 [0,0,1,0,0,0|1,1,1]=4 372 B5R0.1 CC(C)CCO M116197 [0,0,1,0,0,0|1,1,1]=4 373 B5R0.1 CC(C)CCO M116198 [0,0,1,0,0,0|1,1,1]=4 374 B5R0.1 CC(C)CCO M116200 [0,0,1,0,0,0|1,1,1]=4 375 B5R0.1 CC(C)CCO M116201 [0,0,1,0,0,0|1,1,1]=4 376 B5R0.1 CC(C)CCO M119838 [0,0,1,0,0,0|1,1,1]=4 377 B5R0.1 CC(C)CCS M101609 [0,0,1,0,0,0|1,0,1]=3 378 B5R0.1 CC(CCBr)Br D155315 [0,0,1,0,0,0|2,0,1]=4 379 B5R0.1 CC(CCBr)O B589640 [0,0,1,0,0,0|1,0,2]=4 380 B5R0.1 CC(CCCl)Cl D155308 [0,0,1,0,0,0|2,0,1]=4 381 B5R0.1 CC(CCO)N A123608 [0,0,1,0,0,0|1,1,1]=4 382 B5R0.1 CC(CCO)N A183438 [0,0,1,0,0,0|1,1,1]=4 383 B5R0.1 CC(CCO)N S176942 [0,0,1,0,0,0|1,1,1]=4 384 B5R0.1 CC(CCO)O B111016 [0,0,1,0,0,0|0,1,2]=4 385 B5R0.1 CC(CCO)O B111017 [0,0,1,0,0,0|0,1,2]=4 386 B5R0.1 CC(CCO)O B111018 [0,0,1,0,0,0|0,1,2]=4 387 B5R0.1 CC(CCO)O B119672 [0,0,1,0,0,0|0,1,2]=4 388 B5R0.1 CC(CCO)O R160960 [0,0,1,0,0,0|0,1,2]=4 389 B5R0.1 CC(CCO)O S138551 [0,0,1,0,0,0|0,1,2]=4 390 B5R0.1 CC(CNC)O M587581 [0,0,1,0,0,0|1,0,2]=4 391 B5R0.1 CC(COC)N M169973 [0,0,1,0,0,0|1,1,1]=4 392 B5R0.1 CC(COC)N S475332 [0,0,1,0,0,0|1,1,1]=4 393 B5R0.1 CC(COC)N S586466 [0,0,1,0,0,0|1,1,1]=4 394 B5R0.1 CC(COC)O M105264 [0,0,1,0,0,0|0,1,2]=4 395 B5R0.1 CC(COC)O M105265 [0,0,1,0,0,0|0,1,2]=4 396 B5R0.1 CC(COC)O M105266 [0,0,1,0,0,0|0,1,2]=4 397 B5R0.1 CC(COC)O M299436 [0,0,1,0,0,0|0,1,2]=4 398 B5R0.1 CC(COC)O R160841 [0,0,1,0,0,0|0,1,2]=4 399 B5R0.1 CC(COC)O S161357 [0,0,1,0,0,0|0,1,2]=4 400 B5R0.1 CC=CC(=O)C P139100 [0,0,1,0,0,0|1,0,1]=3 401 B5R0.1 CC=CC(=O)Cl C102055 [0,0,1,0,0,0|2,0,1]=4 402 B5R0.1 CC=CC(=O)Cl C153881 [0,0,1,0,0,0|2,0,1]=4 403 B5R0.1 CC=CC(=O)N C153720 [0,0,1,0,0,0|2,0,1]=4 404 B5R0.1 CC=CC(=O)O C104149 [0,0,1,0,0,0|2,0,1]=4 405 B5R0.1 CC=CC(=O)O C104150 [0,0,1,0,0,0|2,0,1]=4 406 B5R0.1 CCC=C(C)C M158233 [0,0,1,0,0,0|2,0,1]=4 407 B5R0.1 CCCC(=C)C M158211 [0,0,1,0,0,0|2,0,0]=3 408 B5R0.1 CCCC(=O)C P103780 [0,0,1,0,0,0|1,0,0]=2 409 B5R0.1 CCCC(=O)C P103781 [0,0,1,0,0,0|1,0,0]=2 410 B5R0.1 CCCC(=O)C P103782 [0,0,1,0,0,0|1,0,0]=2 411 B5R0.1 CCCC(=O)C P103783 [0,0,1,0,0,0|1,0,0]=2 412 B5R0.1 CCCC(=O)Cl B108666 [0,0,1,0,0,0|2,0,0]=3 413 B5R0.1 CCCC(=O)N B152329 [0,0,1,0,0,0|2,0,0]=3 414 B5R0.1 CCCC(=O)O B110438 [0,0,1,0,0,0|2,0,0]=3 415 B5R0.1 CCCC(=O)O B110439 [0,0,1,0,0,0|2,0,0]=3 416 B5R0.1 CCCC(=O)O B110440 [0,0,1,0,0,0|2,0,0]=3 417 B5R0.1 CCCC(=O)O B110442 [0,0,1,0,0,0|2,0,0]=3 418 B5R0.1 CCCC(=O)O B274612 [0,0,1,0,0,0|2,0,0]=3 419 B5R0.1 CCCC(=O)O B431361 [0,0,1,0,0,0|2,0,0]=3 420 B5R0.1 CCCC(=O)[O-] S102954 [0,0,1,0,0,0|2,0,0]=3 421 B5R0.1 CCCC(=O)[O-] S102956 [0,0,1,0,0,0|2,0,0]=3 422 B5R0.1 CCCC(=O)[O-] S346178 [0,0,1,0,0,0|2,0,0]=3 423 B5R0.1 CCCC(=O)[O-] S421873 [0,0,1,0,0,0|2,0,0]=3 424 B5R0.1 CCCC(C)Br B400517 [0,0,1,0,0,0|2,0,1]=4 425 B5R0.1 CCCC(C)C I157548 [0,0,1,0,0,0|2,0,1]=4 426 B5R0.1 CCCC(C)C M105775 [0,0,1,0,0,0|2,0,1]=4 427 B5R0.1 CCCC(C)C M105776 [0,0,1,0,0,0|2,0,1]=4 428 B5R0.1 CCCC(C)C M105777 [0,0,1,0,0,0|2,0,1]=4 429 B5R0.1 CCCC(C)C M105778 [0,0,1,0,0,0|2,0,1]=4 430 B5R0.1 CCCC(C)C M137744 [0,0,1,0,0,0|2,0,1]=4 431 B5R0.1 CCCC(C)Cl C467357 [0,0,1,0,0,0|2,0,1]=4 432 B5R0.1 CCCC(C)N A151353 [0,0,1,0,0,0|2,0,1]=4 433 B5R0.1 CCCC(C)O P103442 [0,0,1,0,0,0|1,0,2]=4 434 B5R0.1 CCCC(C)O P103443 [0,0,1,0,0,0|1,0,2]=4 435 B5R0.1 CCCC(C)O R138651 [0,0,1,0,0,0|1,0,2]=4 436 B5R0.1 CCCC(C)O S138580 [0,0,1,0,0,0|1,0,2]=4 437 B5R0.1 CCCN(C)C N404354 [0,0,1,0,0,0|3,0,0]=4 438 B5R0.1 CCC[N+](=O)[O-] N109053 [0,0,1,0,0,0|3,0,0]=4 439 B5R0.1 CCNC(=O)C I135660 [0,0,1,0,0,0|2,0,0]=3 440 B5R0.1 CCNC(=O)N E105944 [0,0,1,0,0,0|3,0,0]=4 441 B5R0.1 CCOC(=N)C E132730 [0,0,1,0,0,0|3,0,0]=4 442 B5R0.1 CCOC(=O)C E116131 [0,0,1,0,0,0|2,0,0]=3 443 B5R0.1 CCOC(=O)C E116132 [0,0,1,0,0,0|2,0,0]=3 444 B5R0.1 CCOC(=O)C E116133 [0,0,1,0,0,0|2,0,0]=3 445 B5R0.1 CCOC(=O)C E116134 [0,0,1,0,0,0|2,0,0]=3 446 B5R0.1 CCOC(=O)C E116135 [0,0,1,0,0,0|2,0,0]=3 447 B5R0.1 CCOC(=O)C E116136 [0,0,1,0,0,0|2,0,0]=3 448 B5R0.1 CCOC(=O)C E116137 [0,0,1,0,0,0|2,0,0]=3 449 B5R0.1 CCOC(=O)C E116138 [0,0,1,0,0,0|2,0,0]=3 450 B5R0.1 CCOC(=O)C E116139 [0,0,1,0,0,0|2,0,0]=3 451 B5R0.1 CCOC(=O)C E116141 [0,0,1,0,0,0|2,0,0]=3 452 B5R0.1 CCOC(=O)C E116142 [0,0,1,0,0,0|2,0,0]=3 453 B5R0.1 CCOC(=O)C E119698 [0,0,1,0,0,0|2,0,0]=3 454 B5R0.1 CCOC(=O)C E141165 [0,0,1,0,0,0|2,0,0]=3 455 B5R0.1 CCOC(=O)C E302266 [0,0,1,0,0,0|2,0,0]=3 456 B5R0.1 CCOC(=O)C E432070 [0,0,1,0,0,0|2,0,0]=3 457 B5R0.1 CCOC(=O)N C266075 [0,0,1,0,0,0|3,0,0]=4 458 B5R0.1 CCOC(=O)N E424443 [0,0,1,0,0,0|3,0,0]=4 459 B5R0.1 CCOC(=O)N U108629 [0,0,1,0,0,0|3,0,0]=4 460 B5R0.1 CCOC(=O)N U299635 [0,0,1,0,0,0|3,0,0]=4 461 B5R0.1 CCSC(=O)C E107950 [0,0,1,0,0,0|2,0,0]=3 462 B5R0.1 CCSC(=S)C E338928 [0,0,1,0,0,0|2,1,0]=4 463 B5R0.1 CN(C)CCBr B183437 [0,0,1,0,0,0|3,0,0]=4 464 B5R0.1 CN(C)CCN D105347 [0,0,1,0,0,0|3,0,0]=4 465 B5R0.1 CN(C)CCN N404297 [0,0,1,0,0,0|3,0,0]=4 466 B5R0.1 CN(C)CCN N404298 [0,0,1,0,0,0|3,0,0]=4 467 B5R0.1 CN(C)CCO D109078 [0,0,1,0,0,0|2,1,0]=4 468 B5R0.1 CN(C)CCO D109079 [0,0,1,0,0,0|2,1,0]=4 469 B5R0.1 CN(C)CCO D109080 [0,0,1,0,0,0|2,1,0]=4 470 B5R0.1 CNCC(=O)N S115899 [0,0,1,0,0,0|2,0,0]=3 471 B5R0.1 CNCC(=O)O S102891 [0,0,1,0,0,0|2,0,0]=3 472 B5R0.1 CNCC(=O)O S113893 [0,0,1,0,0,0|2,0,0]=3 473 B5R0.1 CNCC(=O)O S420541 [0,0,1,0,0,0|2,0,0]=3 474 B5R0.1 CNCC(=O)[O-] S189142 [0,0,1,0,0,0|2,0,0]=3 475 B5R0.1 COCC(=O)Cl M124203 [0,0,1,0,0,0|1,1,0]=3 476 B5R0.1 COCC(=O)O M158057 [0,0,1,0,0,0|1,1,0]=3 477 B5R0.1 CSCC(=O)N M158330 [0,0,1,0,0,0|1,0,0]=2 478 B5R0.1 CSCC(=O)O M168970 [0,0,1,0,0,0|1,0,0]=2 479 B5R0.1 CSCS(=O)C M158415 [0,0,1,0,0,0|1,0,0]=2 480 B5R0.2 C(C#N)OC=O C153899 [0,0,1,0,0,0|3,0,0]=4 481 B5R0.2 C=CCCC#N P160479 [0,0,1,0,0,0|3,0,0]=4 482 B5R0.2 C=CCCC=C C118545 [0,0,1,0,0,0|2,0,1]=4 483 B5R0.2 C=CCCC=C H106694 [0,0,1,0,0,0|2,0,1]=4 484 B5R0.2 C=CCCCBr B107734 [0,0,1,0,0,0|3,0,0]=4 485 B5R0.2 C=CCCCO P103073 [0,0,1,0,0,0|3,0,0]=4 486 B5R0.2 CC=CCC=C H157263 [0,0,1,0,0,0|2,0,1]=4 487 B5R0.2 CC=CCC=C T162375 [0,0,1,0,0,0|2,0,1]=4 488 B5R0.2 CCC=CC=O T161487 [0,0,1,0,0,0|1,0,1]=3 489 B5R0.2 CCCC=CC C153486 [0,0,1,0,0,0|2,0,1]=4 490 B5R0.2 CCCC=CC H157262 [0,0,1,0,0,0|2,0,1]=4 491 B5R0.2 CCCC=CC T162371 [0,0,1,0,0,0|2,0,1]=4 492 B5R0.2 CCCCC#C H106703 [0,0,1,0,0,0|2,0,1]=4 493 B5R0.2 CCCCC#N B100431 [0,0,1,0,0,0|2,0,1]=4 494 B5R0.2 CCCCC#N B100432 [0,0,1,0,0,0|2,0,1]=4 495 B5R0.2 CCCCC=C H109530 [0,0,1,0,0,0|2,0,0]=3 496 B5R0.2 CCCCC=C H109531 [0,0,1,0,0,0|2,0,0]=3 497 B5R0.2 CCCCC=C H109532 [0,0,1,0,0,0|2,0,0]=3 498 B5R0.2 CCCCC=C H109533 [0,0,1,0,0,0|2,0,0]=3 499 B5R0.2 CCCCC=O V103717 [0,0,1,0,0,0|1,0,0]=2 500 B5R0.2 CCCCCBr B104782 [0,0,1,0,0,0|2,0,1]=4 501 B5R0.2 CCCCCBr B305762 [0,0,1,0,0,0|2,0,1]=4 502 B5R0.2 CCCCCC H100107 [0,0,1,0,0,0|2,0,1]=4 503 B5R0.2 CCCCCC H109653 [0,0,1,0,0,0|2,0,1]=4 504 B5R0.2 CCCCCC H109654 [0,0,1,0,0,0|2,0,1]=4 505 B5R0.2 CCCCCC H109656 [0,0,1,0,0,0|2,0,1]=4 506 B5R0.2 CCCCCC H109659 [0,0,1,0,0,0|2,0,1]=4 507 B5R0.2 CCCCCC H119662 [0,0,1,0,0,0|2,0,1]=4 508 B5R0.2 CCCCCC H121283 [0,0,1,0,0,0|2,0,1]=4 509 B5R0.2 CCCCCC H140380 [0,0,1,0,0,0|2,0,1]=4 510 B5R0.2 CCCCCC H298923 [0,0,1,0,0,0|2,0,1]=4 511 B5R0.2 CCCCCC N431441 [0,0,1,0,0,0|2,0,1]=4 512 B5R0.2 CCCCCCl C109473 [0,0,1,0,0,0|2,0,1]=4 513 B5R0.2 CCCCCCl C109474 [0,0,1,0,0,0|2,0,1]=4 514 B5R0.2 CCCCCF F171115 [0,0,1,0,0,0|2,0,1]=4 515 B5R0.2 CCCCCI I104798 [0,0,1,0,0,0|2,0,1]=4 516 B5R0.2 CCCCCN A105343 [0,0,1,0,0,0|2,0,1]=4 517 B5R0.2 CCCCCN P292685 [0,0,1,0,0,0|2,0,1]=4 518 B5R0.2 CCCCCN P292697 [0,0,1,0,0,0|2,0,1]=4 519 B5R0.2 CCCCCN P292701 [0,0,1,0,0,0|2,0,1]=4 520 B5R0.2 CCCCCN P494144 [0,0,1,0,0,0|2,0,1]=4 521 B5R0.2 CCCCCO N350217 [0,0,1,0,0,0|1,0,2]=4 522 B5R0.2 CCCCCO P108125 [0,0,1,0,0,0|1,0,2]=4 523 B5R0.2 CCCCCO P108126 [0,0,1,0,0,0|1,0,2]=4 524 B5R0.2 CCCCCO P108127 [0,0,1,0,0,0|1,0,2]=4 525 B5R0.2 CCCCCO P108128 [0,0,1,0,0,0|1,0,2]=4 526 B5R0.2 CCCCCO P108129 [0,0,1,0,0,0|1,0,2]=4 527 B5R0.2 CCCCCO P108130 [0,0,1,0,0,0|1,0,2]=4 528 B5R0.2 CCCCCS A100028 [0,0,1,0,0,0|1,1,1]=4 529 B5R0.2 CCCCOC B152821 [0,0,1,0,0,0|1,1,1]=4 530 B5R0.2 CCCCON O184596 [0,0,1,0,0,0|3,0,0]=4 531 B5R0.2 CCCCSC B152508 [0,0,1,0,0,0|1,0,1]=3 532 B5R0.2 CCCC[Sn]Cl B302420 [0,0,1,0,0,0|3,0,0]=4 533 B5R0.2 CCCNCC N159096 [0,0,1,0,0,0|2,0,1]=4 534 B5R0.2 CCCOC=C P137362 [0,0,1,0,0,0|3,0,0]=4 535 B5R0.2 CCCOC=O P160055 [0,0,1,0,0,0|2,0,0]=3 536 B5R0.2 CCCOCC E156162 [0,0,1,0,0,0|1,1,1]=4 537 B5R0.2 CCCSCC E134963 [0,0,1,0,0,0|1,0,1]=3 538 B5R0.2 CCCSSC M103114 [0,0,1,0,0,0|2,0,1]=4 539 B5R0.2 CCNCCN N138023 [0,0,1,0,0,0|2,0,1]=4 540 B5R0.2 CCNCCO E156112 [0,0,1,0,0,0|1,0,2]=4 541 B5R0.2 CCNCCO E301665 [0,0,1,0,0,0|1,0,2]=4 542 B5R0.2 CCOC=CC E122346 [0,0,1,0,0,0|1,1,1]=4 543 B5R0.2 CCOCC=C A151091 [0,0,1,0,0,0|1,1,0]=3 544 B5R0.2 CCOCCBr B152837 [0,0,1,0,0,0|1,1,1]=4 545 B5R0.2 CCOCCCl C153264 [0,0,1,0,0,0|1,1,1]=4 546 B5R0.2 CCOCCN E156296 [0,0,1,0,0,0|1,1,1]=4 547 B5R0.2 CCOCCO E110821 [0,0,1,0,0,0|0,1,2]=4 548 B5R0.2 CCOCCO E110822 [0,0,1,0,0,0|0,1,2]=4 549 B5R0.2 CCOCCO E118463 [0,0,1,0,0,0|0,1,2]=4 550 B5R0.2 CCSCCCl C102885 [0,0,1,0,0,0|1,0,1]=3 551 B5R0.2 CCSCCN E170901 [0,0,1,0,0,0|1,0,1]=3 552 B5R0.2 CCSCCN E300178 [0,0,1,0,0,0|1,0,1]=3 553 B5R0.2 CCSCCO E156428 [0,0,1,0,0,0|0,0,2]=3 554 B5R0.2 CCSSCC D140646 [0,0,1,0,0,0|2,0,1]=4 555 B5R0.2 CNCCC#N M104316 [0,0,1,0,0,0|2,0,1]=4 556 B5R0.2 CNCCCN N104493 [0,0,1,0,0,0|2,0,1]=4 557 B5R0.2 CNCCCO M133702 [0,0,1,0,0,0|1,0,2]=4 558 B5R0.2 CNCCNC D106275 [0,0,1,0,0,0|3,0,0]=4 559 B5R0.2 CNCCOC N159090 [0,0,1,0,0,0|2,1,0]=4 560 B5R0.2 COCCC#N M158577 [0,0,1,0,0,0|1,1,1]=4 561 B5R0.2 COCCCBr B136284 [0,0,1,0,0,0|1,1,1]=4 562 B5R0.2 COCCCCl C108061 [0,0,1,0,0,0|1,1,1]=4 563 B5R0.2 COCCCN M134485 [0,0,1,0,0,0|1,1,1]=4 564 B5R0.2 COCCCN M587821 [0,0,1,0,0,0|1,1,1]=4 565 B5R0.2 COCCCO M107732 [0,0,1,0,0,0|0,1,2]=4 566 B5R0.2 COCCOC D299631 [0,0,1,0,0,0|2,1,0]=4 567 B5R0.2 COCCOC E104387 [0,0,1,0,0,0|2,1,0]=4 568 B5R0.2 COCCOC E104388 [0,0,1,0,0,0|2,1,0]=4 569 B5R0.2 COCCOC E104391 [0,0,1,0,0,0|2,1,0]=4 570 B5R0.2 COCCOC E119676 [0,0,1,0,0,0|2,1,0]=4 571 B5R0.2 COCCOC I282413 [0,0,1,0,0,0|2,1,0]=4 572 B5R0.2 COCCOC P107530 [0,0,1,0,0,0|2,1,0]=4 573 B5R0.2 COCCOC P432396 [0,0,1,0,0,0|2,1,0]=4 574 B5R0.2 COCCOC P432397 [0,0,1,0,0,0|2,1,0]=4 575 B5R0.2 COCCOC P432398 [0,0,1,0,0,0|2,1,0]=4 576 B5R0.2 CSCCC=O M109548 [0,0,1,0,0,0|0,0,0]=1 577 B5R0.2 CSCCCN M158420 [0,0,1,0,0,0|1,0,1]=3 578 B5R0.2 CSCCCO M102967 [0,0,1,0,0,0|0,0,2]=3 579 B5R0.2 CSSCC=C M103119 [0,0,1,0,0,0|2,0,0]=3 580 B5R0.3 C(C(=O)CBr)Br D139292 [0,0,1,0,0,0|2,0,0]=3 581 B5R0.3 C(C(=O)NN)O H192943 [0,0,1,0,0,0|2,1,0]=4 582 B5R0.3 C(C(CS)O)O T109440 [0,0,1,0,0,0|1,0,2]=4 583 B5R0.3 C(C(CS)O)O T109441 [0,0,1,0,0,0|1,0,2]=4 584 B5R0.3 C(C(CS)O)O T109442 [0,0,1,0,0,0|1,0,2]=4 585 B5R0.3 C(C(CS)O)O T141418 [0,0,1,0,0,0|1,0,2]=4 586 B5R0.3 C(C(CS)S)O D106477 [0,0,1,0,0,0|1,1,1]=4 587 B5R0.3 C(C(CS)S)O D424962 [0,0,1,0,0,0|1,1,1]=4 588 B5R0.3 C=C(CCl)CCl C124660 [0,0,1,0,0,0|3,0,0]=4 589 B5R0.3 C=C(CO)CO M158762 [0,0,1,0,0,0|2,1,0]=4 590 B5R0.3 CCC(=C)C=O E189230 [0,0,1,0,0,0|1,1,1]=4 591 B5R0.3 CCC(=C)CC E156179 [0,0,1,0,0,0|2,0,0]=3 592 B5R0.3 CCC(=CC)C T162381 [0,0,1,0,0,0|2,0,1]=4 593 B5R0.3 CCC(=NO)C B105233 [0,0,1,0,0,0|2,1,0]=4 594 B5R0.3 CCC(=NO)N P138620 [0,0,1,0,0,0|2,1,0]=4 595 B5R0.3 CCC(=O)CC P103791 [0,0,1,0,0,0|1,0,0]=2 596 B5R0.3 CCC(=O)CC P103792 [0,0,1,0,0,0|1,0,0]=2 597 B5R0.3 CCC(=O)CC P103794 [0,0,1,0,0,0|1,0,0]=2 598 B5R0.3 CCC(=O)CO H193640 [0,0,1,0,0,0|0,1,0]=2 599 B5R0.3 CCC(=O)NC N159394 [0,0,1,0,0,0|2,0,0]=3 600 B5R0.3 CCC(=O)NN P342062 [0,0,1,0,0,0|2,0,0]=3 601 B5R0.3 CCC(=O)OC M110420 [0,0,1,0,0,0|2,0,0]=3 602 B5R0.3 CCC(=O)OC M110421 [0,0,1,0,0,0|2,0,0]=3 603 B5R0.3 CCC(=O)OC M110422 [0,0,1,0,0,0|2,0,0]=3 604 B5R0.3 CCC(=O)OC M491732 [0,0,1,0,0,0|2,0,0]=3 605 B5R0.3 CCC(=O)SC S404755 [0,0,1,0,0,0|2,0,0]=3 606 B5R0.3 CCC(C)CBr B120302 [0,0,1,0,0,0|2,0,1]=4 607 B5R0.3 CCC(C)CBr B188983 [0,0,1,0,0,0|2,0,1]=4 608 B5R0.3 CCC(C)CC M109051 [0,0,1,0,0,0|2,0,1]=4 609 B5R0.3 CCC(C)CC M109052 [0,0,1,0,0,0|2,0,1]=4 610 B5R0.3 CCC(C)CCl C153548 [0,0,1,0,0,0|2,0,1]=4 611 B5R0.3 CCC(C)CCl S160982 [0,0,1,0,0,0|2,0,1]=4 612 B5R0.3 CCC(C)CI I157547 [0,0,1,0,0,0|2,0,1]=4 613 B5R0.3 CCC(C)CN S467250 [0,0,1,0,0,0|2,0,1]=4 614 B5R0.3 CCC(C)CO M106456 [0,0,1,0,0,0|1,1,1]=4 615 B5R0.3 CCC(C)CO M106654 [0,0,1,0,0,0|1,1,1]=4 616 B5R0.3 CCC(C)CS M103069 [0,0,1,0,0,0|1,0,1]=3 617 B5R0.3 CCC(CBr)Br D102336 [0,0,1,0,0,0|2,0,1]=4 618 B5R0.3 CCC(CBr)O B152045 [0,0,1,0,0,0|1,0,2]=4 619 B5R0.3 CCC(CC)Br B106965 [0,0,1,0,0,0|2,0,1]=4 620 B5R0.3 CCC(CC)N A133949 [0,0,1,0,0,0|2,0,1]=4 621 B5R0.3 CCC(CC)O P109359 [0,0,1,0,0,0|1,0,2]=4 622 B5R0.3 CCC(CCl)Cl D155318 [0,0,1,0,0,0|2,0,1]=4 623 B5R0.3 CCC(CN)O A151121 [0,0,1,0,0,0|1,0,2]=4 624 B5R0.3 CCC(CO)N A106025 [0,0,1,0,0,0|1,1,1]=4 625 B5R0.3 CCC(CO)N A107264 [0,0,1,0,0,0|1,1,1]=4 626 B5R0.3 CCC(CO)N A107265 [0,0,1,0,0,0|1,1,1]=4 627 B5R0.3 CCC(CO)O B153217 [0,0,1,0,0,0|0,1,2]=4 628 B5R0.3 CCC(CO)O B300651 [0,0,1,0,0,0|0,1,2]=4 629 B5R0.3 CCC(CO)O R160952 [0,0,1,0,0,0|0,1,2]=4 630 B5R0.3 CCC(CO)O S161003 [0,0,1,0,0,0|0,1,2]=4 631 B5R0.3 CCC(CS)S B152748 [0,0,1,0,0,0|0,1,1]=3 632 B5R0.3 CCN(C)CC N159249 [0,0,1,0,0,0|3,0,0]=4 633 B5R0.3 CCN(CC)O D109383 [0,0,1,0,0,0|2,0,1]=4 634 B5R0.3 CCN(CC)O N432573 [0,0,1,0,0,0|2,0,1]=4 635 B5R0.3 CCS(=O)CC E589941 [0,0,1,0,0,0|2,0,0]=3 636 B5R0.3 CC[P+](=O)CC D332476 [0,0,1,0,0,0|2,0,0]=3 637 B5R0.3 CC[Si](C)CC D337339 [0,0,1,0,0,0|2,1,0]=4 638 B5R0.3 CNC(=O)C=C N189941 [0,0,1,0,0,0|2,0,1]=4 639 B5R0.3 CNC(=O)CBr B588815 [0,0,1,0,0,0|2,0,0]=3 640 B5R0.3 CNC(=O)CCl C124467 [0,0,1,0,0,0|2,0,0]=3 641 B5R0.3 CNC(=O)CN A182951 [0,0,1,0,0,0|2,0,0]=3 642 B5R0.3 CNC(=O)CS M124593 [0,0,1,0,0,0|1,0,0]=2 643 B5R0.3 CNC(=O)NC D104702 [0,0,1,0,0,0|3,0,0]=4 644 B5R0.3 COC(=O)C#C M106792 [0,0,1,0,0,0|2,0,1]=4 645 B5R0.3 COC(=O)C=C M100029 [0,0,1,0,0,0|2,0,1]=4 646 B5R0.3 COC(=O)C=C M100030 [0,0,1,0,0,0|2,0,1]=4 647 B5R0.3 COC(=O)C=C M100032 [0,0,1,0,0,0|2,0,1]=4 648 B5R0.3 COC(=O)C=C M100033 [0,0,1,0,0,0|2,0,1]=4 649 B5R0.3 COC(=O)CBr M106900 [0,0,1,0,0,0|2,0,0]=3 650 B5R0.3 COC(=O)CCl M104120 [0,0,1,0,0,0|2,0,0]=3 651 B5R0.3 COC(=O)CCl M104121 [0,0,1,0,0,0|2,0,0]=3 652 B5R0.3 COC(=O)CCl M305846 [0,0,1,0,0,0|2,0,0]=3 653 B5R0.3 COC(=O)CN G105475 [0,0,1,0,0,0|2,0,0]=3 654 B5R0.3 COC(=O)CO M101718 [0,0,1,0,0,0|1,1,0]=3 655 B5R0.3 COC(=O)CS M103140 [0,0,1,0,0,0|1,0,0]=2 656 B5R0.3 COC(=O)NN M106002 [0,0,1,0,0,0|3,0,0]=4 657 B5R0.3 COC(=O)OC D110623 [0,0,1,0,0,0|3,0,0]=4 658 B5R0.3 COC(=O)OC D110625 [0,0,1,0,0,0|3,0,0]=4 659 B5R0.3 COC(=O)OC D119695 [0,0,1,0,0,0|3,0,0]=4 660 B5R0.3 COC(=O)OC D294884 [0,0,1,0,0,0|3,0,0]=4 661 B5R0.3 COC(=O)OC D433121 [0,0,1,0,0,0|3,0,0]=4 662 B5R0.3 COC(=O)OC D433122 [0,0,1,0,0,0|3,0,0]=4 663 B5R0.3 COC(=O)OC D433123 [0,0,1,0,0,0|3,0,0]=4 664 B7R2.13 C1C2C(O2)CO1 E103092 [0,0,0,1,0,0|0,1,2]=4 665 B7R2.13 C1C2C(O2)CO1 E616368 [0,0,0,1,0,0|0,1,2]=4 666 B7R2.13 C1C2C1CNC2 A177313 [0,0,0,1,0,0|2,0,1]=4 667 B7R2.13 C1CC2C(C1)O2 C103079 [0,0,0,1,0,0|1,0,2]=4 668 B5R1.2 C1C(=O)CN1 A174998 [0,0,0,0,1,0|1,0,0]=2 669 B5R1.2 C1C(=O)CO1 O129097 [0,0,0,0,1,0|0,1,0]=2 670 B5R1.2 C1C(CN1)F F134511 [0,0,0,0,1,0|2,0,1]=4 671 B5R1.2 C1C(CN1)N A171689 [0,0,0,0,1,0|2,0,1]=4 672 B5R1.2 C1C(CN1)O H102085 [0,0,0,0,1,0|1,0,2]=4 673 B5R1.2 C1C(CO1)Br B170097 [0,0,0,0,1,0|1,1,1]=4 674 B5R1.2 C1C(CO1)I I134383 [0,0,0,0,1,0|1,1,1]=4 675 B5R1.2 C1C(CO1)N O135359 [0,0,0,0,1,0|1,1,1]=4 676 B5R1.2 C1C(CO1)N O589249 [0,0,0,0,1,0|1,1,1]=4 677 B5R1.2 C1C(CO1)O H123582 [0,0,0,0,1,0|0,1,2]=4 678 B5R1.2 C1C(CS1)N T173228 [0,0,0,0,1,0|1,0,1]=3 679 B5R1.2 C1CC(=O)C1 C107836 [0,0,0,0,1,0|0,0,0]=1 680 B5R1.2 C1CC(C1)Br C107837 [0,0,0,0,1,0|1,0,1]=3 681 B5R1.2 C1CC(C1)Cl C115990 [0,0,0,0,1,0|1,0,1]=3 682 B5R1.2 C1CC(C1)N C113777 [0,0,0,0,1,0|1,0,1]=3 683 B5R1.2 C1CC(C1)N P117243 [0,0,0,0,1,0|1,0,1]=3 684 B5R1.2 C1CC(C1)O C101572 [0,0,0,0,1,0|0,0,2]=3 685 B5R1.2 C1CNC1=O A139449 [0,0,0,0,1,0|1,0,0]=2 686 B5R1.2 C1COC1=O P109567 [0,0,0,0,1,0|0,1,0]=2 687 B5R1.2 C=C1CCC1 M332850 [0,0,0,0,1,0|1,0,0]=2 688 B7R1.3 C1C(COCO1)O G141045 [0,0,0,0,0,1|0,1,2]=4 689 B7R1.3 C1CC(=O)CNC1 P301951 [0,0,0,0,0,1|1,0,0]=2 690 B7R1.3 C1CC(=O)COC1 O175840 [0,0,0,0,0,1|0,1,0]=2 691 B7R1.3 C1CC(CNC1)F F166180 [0,0,0,0,0,1|2,0,1]=4 692 B7R1.3 C1CC(CNC1)N A119349 [0,0,0,0,0,1|2,0,1]=4 693 B7R1.3 C1CC(CNC1)N A121532 [0,0,0,0,0,1|2,0,1]=4 694 B7R1.3 C1CC(CNC1)N A121533 [0,0,0,0,0,1|2,0,1]=4 695 B7R1.3 C1CC(CNC1)N A151173 [0,0,0,0,0,1|2,0,1]=4 696 B7R1.3 C1CC(CNC1)N R586890 [0,0,0,0,0,1|2,0,1]=4 697 B7R1.3 C1CC(CNC1)O H119140 [0,0,0,0,0,1|1,0,2]=4 698 B7R1.3 C1CC(CNC1)O H119141 [0,0,0,0,0,1|1,0,2]=4 699 B7R1.3 C1CC(CNC1)O H123507 [0,0,0,0,0,1|1,0,2]=4 700 B7R1.3 C1CC(CNC1)O H123509 [0,0,0,0,0,1|1,0,2]=4 701 B7R1.3 C1CC(CNC1)O S588362 [0,0,0,0,0,1|1,0,2]=4 702 B7R1.3 C1CC(COC1)N S172896 [0,0,0,0,0,1|1,1,1]=4 703 B7R1.3 C1CC(COC1)O O175461 [0,0,0,0,0,1|0,1,2]=4 704 B7R1.3 C1CCC(=O)CC1 C116449 [0,0,0,0,0,1|1,0,0]=2 705 B7R1.3 C1CCC(=O)CC1 C116451 [0,0,0,0,0,1|1,0,0]=2 706 B7R1.3 C1CCC(=O)CC1 C116453 [0,0,0,0,0,1|1,0,0]=2 707 B7R1.3 C1CCC(=O)CC1 C116454 [0,0,0,0,0,1|1,0,0]=2 708 B7R1.3 C1CCC(=O)CC1 C295202 [0,0,0,0,0,1|1,0,0]=2 709 B7R1.3 C1CCC(=O)CC1 C471914 [0,0,0,0,0,1|1,0,0]=2 710 B7R1.3 C1CCC(=O)CC1 C615386 [0,0,0,0,0,1|1,0,0]=2 711 B7R1.3 C1CCC(CC1)Br B109675 [0,0,0,0,0,1|2,0,1]=4 712 B7R1.3 C1CCC(CC1)Cl C106088 [0,0,0,0,0,1|2,0,1]=4 713 B7R1.3 C1CCC(CC1)F F156720 [0,0,0,0,0,1|2,0,1]=4 714 B7R1.3 C1CCC(CC1)I I157579 [0,0,0,0,0,1|2,0,1]=4 715 B7R1.3 C1CCC(CC1)N C103892 [0,0,0,0,0,1|2,0,1]=4 716 B7R1.3 C1CCC(CC1)N C105033 [0,0,0,0,0,1|2,0,1]=4 717 B7R1.3 C1CCC(CC1)N C105034 [0,0,0,0,0,1|2,0,1]=4 718 B7R1.3 C1CCC(CC1)N C105035 [0,0,0,0,0,1|2,0,1]=4 719 B7R1.3 C1CCC(CC1)N C105036 [0,0,0,0,0,1|2,0,1]=4 720 B7R1.3 C1CCC(CC1)N C136515 [0,0,0,0,0,1|2,0,1]=4 721 B7R1.3 C1CCC(CC1)N C405536 [0,0,0,0,0,1|2,0,1]=4 722 B7R1.3 C1CCC(CC1)N C492170 [0,0,0,0,0,1|2,0,1]=4 723 B7R1.3 C1CCC(CC1)N C492176 [0,0,0,0,0,1|2,0,1]=4 724 B7R1.3 C1CCC(CC1)O C110399 [0,0,0,0,0,1|1,0,2]=4 725 B7R1.3 C1CCC(CC1)O C110400 [0,0,0,0,0,1|1,0,2]=4 726 B7R1.3 C1CCC(CC1)O C110401 [0,0,0,0,0,1|1,0,2]=4 727 B7R1.3 C1CCC(CC1)O C121272 [0,0,0,0,0,1|1,0,2]=4 728 B7R1.3 C1CCC(CC1)S C107602 [0,0,0,0,0,1|1,1,1]=4 729 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,0,0,0,0,1|2,0,1]=4 730 B7R1.3 C1CCN(CC1)N A103012 [0,0,0,0,0,1|3,0,0]=4 731 B7R1.3 C1CCN(CC1)N A113934 [0,0,0,0,0,1|3,0,0]=4 732 B7R1.3 C1CCNC(=O)C1 P160613 [0,0,0,0,0,1|1,0,0]=2 733 B7R1.3 C1CCOC(=O)C1 V100560 [0,0,0,0,0,1|1,0,0]=2 734 B7R1.3 C1CNC(=O)CN1 P135012 [0,0,0,0,0,1|1,0,0]=2 735 B7R1.3 C1CNC(=O)NC1 T162348 [0,0,0,0,0,1|2,0,0]=3 736 B7R1.3 C1CNC(=O)OC1 O170792 [0,0,0,0,0,1|2,0,0]=3 737 B7R1.3 C1CNC(=S)NC1 T465543 [0,0,0,0,0,1|2,1,0]=4 738 B7R1.3 C1CNCCC1Br B123508 [0,0,0,0,0,1|2,0,1]=4 739 B7R1.3 C1CNCCC1Cl C153867 [0,0,0,0,0,1|2,0,1]=4 740 B7R1.3 C1CNCCC1Cl C185077 [0,0,0,0,0,1|2,0,1]=4 741 B7R1.3 C1CNCCC1F F171054 [0,0,0,0,0,1|2,0,1]=4 742 B7R1.3 C1CNCCC1F F590177 [0,0,0,0,0,1|2,0,1]=4 743 B7R1.3 C1CNCCC1N A103195 [0,0,0,0,0,1|2,0,1]=4 744 B7R1.3 C1CNCCC1O H106359 [0,0,0,0,0,1|1,0,2]=4 745 B7R1.3 C1CNCCC1O H138960 [0,0,0,0,0,1|1,0,2]=4 746 B7R1.3 C1COC(=O)C=C1 D155403 [0,0,0,0,0,1|1,0,1]=3 747 B7R1.3 C1COC(=O)CO1 D122246 [0,0,0,0,0,1|0,1,0]=2 748 B7R1.3 C1COC(=O)OC1 D155394 [0,0,0,0,0,1|2,0,0]=3 749 B7R1.3 C1COCC(=O)N1 M157861 [0,0,0,0,0,1|0,1,0]=2 750 B7R1.3 C1COCCC1=O T107483 [0,0,0,0,0,1|0,1,0]=2 751 B7R1.3 C1COCCC1Br B169075 [0,0,0,0,0,1|1,1,1]=4 752 B7R1.3 C1COCCC1Cl C120070 [0,0,0,0,0,1|1,1,1]=4 753 B7R1.3 C1COCCC1I I175912 [0,0,0,0,0,1|1,1,1]=4 754 B7R1.3 C1COCCC1N A102316 [0,0,0,0,0,1|1,1,1]=4 755 B7R1.3 C1COCCC1N O176150 [0,0,0,0,0,1|1,1,1]=4 756 B7R1.3 C1COCCC1O T119338 [0,0,0,0,0,1|0,1,2]=4 757 B7R1.3 C1COCCN1N A151029 [0,0,0,0,0,1|2,1,0]=4 758 B7R1.3 C1COS(=O)OC1 D137600 [0,0,0,0,0,1|3,0,0]=4 759 B7R1.3 C1CSCCC1=O T121984 [0,0,0,0,0,1|0,0,0]=1 760 B7R1.3 C1CSCCC1N T588299 [0,0,0,0,0,1|1,0,1]=3 761 B7R1.3 C1CSCCC1O T161724 [0,0,0,0,0,1|0,0,2]=3 762 B7R1.3 C=C1CCCCC1 M158229 [0,0,0,0,0,1|2,0,0]=3 763 B7R1.3 CC1=CCC=CC1 M113652 [0,0,0,0,0,1|2,0,1]=4 764 B7R1.3 CC1=CCCCC1 M158209 [0,0,0,0,0,1|2,0,0]=3 765 B7R1.3 CC1=CCNCC1 M178460 [0,0,0,0,0,1|2,0,0]=3 766 B7R1.3 CC1CCCCC1 M103329 [0,0,0,0,0,1|2,0,1]=4 767 B7R1.3 CC1CCCCC1 M103330 [0,0,0,0,0,1|2,0,1]=4 768 B7R1.3 CC1CCCCC1 M103331 [0,0,0,0,0,1|2,0,1]=4 769 B7R1.3 CC1CCCCC1 M118385 [0,0,0,0,0,1|2,0,1]=4 770 B7R1.3 CC1CCCCC1 M119670 [0,0,0,0,0,1|2,0,1]=4 771 B7R1.3 CC1CCCCN1 I169537 [0,0,0,0,0,1|2,0,1]=4 772 B7R1.3 CC1CCCCN1 M106737 [0,0,0,0,0,1|2,0,1]=4 773 B7R1.3 CC1CCCNC1 M158771 [0,0,0,0,0,1|2,0,1]=4 774 B7R1.3 CC1CCCNC1 R588230 [0,0,0,0,0,1|2,0,1]=4 775 B7R1.3 CC1CCCNC1 S191141 [0,0,0,0,0,1|2,0,1]=4 776 B7R1.3 CC1CCNCC1 M158650 [0,0,0,0,0,1|2,0,1]=4 777 B7R1.3 CC1CCOCO1 M158047 [0,0,0,0,0,1|1,1,1]=4 778 B7R1.3 CC1CNCCN1 M103218 [0,0,0,0,0,1|2,0,1]=4 779 B7R1.3 CC1CNCCN1 M120020 [0,0,0,0,0,1|2,0,1]=4 780 B7R1.3 CC1CNCCN1 R160832 [0,0,0,0,0,1|2,0,1]=4 781 B7R1.3 CC1CNCCO1 M588524 [0,0,0,0,0,1|2,0,1]=4 782 B7R1.3 CC1CNCCO1 R174894 [0,0,0,0,0,1|2,0,1]=4 783 B7R1.3 CC1CNCCO1 S172145 [0,0,0,0,0,1|2,0,1]=4 784 B7R1.3 CC1COCCN1 M193354 [0,0,0,0,0,1|1,1,1]=4 785 B7R1.3 CC1COCCN1 R160948 [0,0,0,0,0,1|1,1,1]=4 786 B7R1.3 CC1COCCN1 R177343 [0,0,0,0,0,1|1,1,1]=4 787 B7R1.3 CC1COCCN1 S176218 [0,0,0,0,0,1|1,1,1]=4 788 B7R1.3 CC1COCCN1 S189368 [0,0,0,0,0,1|1,1,1]=4 789 B7R1.3 CN1CCCCC1 M106736 [0,0,0,0,0,1|3,0,0]=4 790 B7R1.3 CN1CCNCC1 M108683 [0,0,0,0,0,1|3,0,0]=4 791 B7R1.3 CN1CCNCC1 M108684 [0,0,0,0,0,1|3,0,0]=4 792 B7R1.3 CN1CCNCC1 M136564 [0,0,0,0,0,1|3,0,0]=4 793 B7R1.3 CN1CCOCC1 M104641 [0,0,0,0,0,1|2,1,0]=4 794 B7R1.3 CN1CCOCC1 M104642 [0,0,0,0,0,1|2,1,0]=4 795 B7R1.3 CN1CCOCC1 M104643 [0,0,0,0,0,1|2,1,0]=4 796 B7R1.3 CN1CCOCC1 M104644 [0,0,0,0,0,1|2,1,0]=4 797 B7R1.3 CN1CCOCC1 M588891 [0,0,0,0,0,1|2,1,0]=4 798 B7R1.3 C[Si]1CCCCO1 P107083 [0,0,0,0,0,1|2,1,0]=4 799 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,0,0,0,0,1|2,0,1]=4 800 B4R0.1 C(=O)(SCl)Cl C154038 [1,0,1,0,0,0|2,0,0]=4 801 B4R0.1 C(C(=O)Br)Br B106897 [1,0,1,0,0,0|2,0,0]=4 802 B4R0.1 C(C(=O)Cl)Br B137113 [1,0,1,0,0,0|2,0,0]=4 803 B4R0.1 C(C(=O)N)Br B139173 [1,0,1,0,0,0|2,0,0]=4 804 B4R0.1 C(C(=O)N)Cl C106072 [1,0,1,0,0,0|2,0,0]=4 805 B4R0.1 C(C(=O)N)I I105563 [1,0,1,0,0,0|2,0,0]=4 806 B4R0.1 C(C(=O)N)I I131590 [1,0,1,0,0,0|2,0,0]=4 807 B4R0.1 C(C(=O)N)I I421630 [1,0,1,0,0,0|2,0,0]=4 808 B4R0.1 C(C(=O)N)N G106202 [1,0,1,0,0,0|2,0,0]=4 809 B4R0.1 C(C(=O)N)N G185482 [1,0,1,0,0,0|2,0,0]=4 810 B4R0.1 C(C(=O)N)O G102639 [1,0,1,0,0,0|1,1,0]=4 811 B4R0.1 C(C(=O)O)Br B108523 [1,0,1,0,0,0|1,1,0]=4 812 B4R0.1 C(C(=O)O)Br B108524 [1,0,1,0,0,0|1,1,0]=4 813 B4R0.1 C(C(=O)O)Br B108525 [1,0,1,0,0,0|1,1,0]=4 814 B4R0.1 C(C(=O)O)Br B355164 [1,0,1,0,0,0|1,1,0]=4 815 B4R0.1 C(C(=O)O)Br B434194 [1,0,1,0,0,0|1,1,0]=4 816 B4R0.1 C(C(=O)O)Cl C485697 [1,0,1,0,0,0|1,1,0]=4 817 B4R0.1 C(C(=O)O)I I104613 [1,0,1,0,0,0|1,1,0]=4 818 B4R0.1 C(C(=O)O)N A110749 [1,0,1,0,0,0|1,1,0]=4 819 B4R0.1 C(C(=O)O)N A110750 [1,0,1,0,0,0|1,1,0]=4 820 B4R0.1 C(C(=O)O)N A110751 [1,0,1,0,0,0|1,1,0]=4 821 B4R0.1 C(C(=O)O)N A110752 [1,0,1,0,0,0|1,1,0]=4 822 B4R0.1 C(C(=O)O)N A111465 [1,0,1,0,0,0|1,1,0]=4 823 B4R0.1 C(C(=O)O)N A124751 [1,0,1,0,0,0|1,1,0]=4 824 B4R0.1 C(C(=O)O)N A124757 [1,0,1,0,0,0|1,1,0]=4 825 B4R0.1 C(C(=O)O)N A298706 [1,0,1,0,0,0|1,1,0]=4 826 B4R0.1 C(C(=O)O)N B190646 [1,0,1,0,0,0|1,1,0]=4 827 B4R0.1 C(C(=O)O)N B573462 [1,0,1,0,0,0|1,1,0]=4 828 B4R0.1 C(C(=O)O)N G110174 [1,0,1,0,0,0|1,1,0]=4 829 B4R0.1 C(C(=O)O)N G119904 [1,0,1,0,0,0|1,1,0]=4 830 B4R0.1 C(C(=O)O)N G133060 [1,0,1,0,0,0|1,1,0]=4 831 B4R0.1 C(C(=O)O)N G156794 [1,0,1,0,0,0|1,1,0]=4 832 B4R0.1 C(C(=O)O)N G156795 [1,0,1,0,0,0|1,1,0]=4 833 B4R0.1 C(C(=O)O)N G432934 [1,0,1,0,0,0|1,1,0]=4 834 B4R0.1 C(C(=O)O)N G432935 [1,0,1,0,0,0|1,1,0]=4 835 B4R0.1 C(C(=O)O)N G471905 [1,0,1,0,0,0|1,1,0]=4 836 B4R0.1 C(C(=O)O)N G472098 [1,0,1,0,0,0|1,1,0]=4 837 B4R0.1 C(C(=O)O)O G104191 [1,0,1,0,0,0|1,1,0]=4 838 B4R0.1 C(C(=O)O)O G104193 [1,0,1,0,0,0|1,1,0]=4 839 B4R0.1 C(C(=O)O)O G425976 [1,0,1,0,0,0|1,1,0]=4 840 B4R0.1 C(C(=O)O)O G434198 [1,0,1,0,0,0|1,1,0]=4 841 B4R0.1 C(C(=O)O)O G591002 [1,0,1,0,0,0|1,1,0]=4 842 B4R0.1 C(C(=O)O)O N129652 [1,0,1,0,0,0|1,1,0]=4 843 B4R0.1 C(C(=O)O)O N427119 [1,0,1,0,0,0|1,1,0]=4 844 B4R0.1 C(C(=O)O)O P136309 [1,0,1,0,0,0|1,1,0]=4 845 B4R0.1 C(C(=O)O)O P477164 [1,0,1,0,0,0|1,1,0]=4 846 B4R0.1 C(C(=O)O)S T104998 [1,0,1,0,0,0|1,0,0]=3 847 B4R0.1 C(C(=O)O)S T105002 [1,0,1,0,0,0|1,0,0]=3 848 B4R0.1 C(C(=O)O)S T501446 [1,0,1,0,0,0|1,0,0]=3 849 B4R0.1 C(C(=O)[O-])Br S124697 [1,0,1,0,0,0|1,1,0]=4 850 B4R0.1 C(C(=O)[O-])Cl S108371 [1,0,1,0,0,0|1,1,0]=4 851 B4R0.1 C(C(=O)[O-])I S104897 [1,0,1,0,0,0|1,1,0]=4 852 B4R0.1 C(C(=O)[O-])N F302712 [1,0,1,0,0,0|1,1,0]=4 853 B4R0.1 C(C(=O)[O-])N G104214 [1,0,1,0,0,0|1,1,0]=4 854 B4R0.1 C(C(=O)[O-])N G156806 [1,0,1,0,0,0|1,1,0]=4 855 B4R0.1 C(C(=O)[O-])N G168473 [1,0,1,0,0,0|1,1,0]=4 856 B4R0.1 C(C(=O)[O-])N M302926 [1,0,1,0,0,0|1,1,0]=4 857 B4R0.1 C(C(=O)[O-])O C154022 [1,0,1,0,0,0|1,1,0]=4 858 B4R0.1 C(C(=O)[O-])O C347797 [1,0,1,0,0,0|1,1,0]=4 859 B4R0.1 C(C(=O)[O-])O S102872 [1,0,1,0,0,0|1,1,0]=4 860 B4R0.1 C(C(=O)[O-])S A109096 [1,0,1,0,0,0|1,0,0]=3 861 B4R0.1 C(C(=O)[O-])S C154034 [1,0,1,0,0,0|1,0,0]=3 862 B4R0.1 C(C(=O)[O-])S S105664 [1,0,1,0,0,0|1,0,0]=3 863 B4R0.1 CC(=C)CBr B101577 [1,0,1,0,0,0|2,0,0]=4 864 B4R0.1 CC(=C)CCl C106528 [1,0,1,0,0,0|2,0,0]=4 865 B4R0.1 CC(=C)CN M158608 [1,0,1,0,0,0|2,0,0]=4 866 B4R0.1 CC(=C)CO M107570 [1,0,1,0,0,0|1,1,0]=4 867 B4R0.1 CC(=O)C#C B101576 [1,0,1,0,0,0|0,0,2]=4 868 B4R0.1 CC(=O)C#N P466890 [1,0,1,0,0,0|1,0,1]=4 869 B4R0.1 CC(=O)C=O M109035 [1,0,1,0,0,0|0,1,1]=4 870 B4R0.1 CC(=O)C=O M109036 [1,0,1,0,0,0|0,1,1]=4 871 B4R0.1 CC(=O)CF F170335 [1,0,1,0,0,0|1,0,0]=3 872 B4R0.1 CC(=O)CN A186558 [1,0,1,0,0,0|1,0,0]=3 873 B4R0.1 CC(=O)CN A485063 [1,0,1,0,0,0|1,0,0]=3 874 B4R0.1 CC(=O)CO H111149 [1,0,1,0,0,0|0,1,0]=3 875 B4R0.1 CC(=O)NBr N159711 [1,0,1,0,0,0|2,0,0]=4 876 B4R0.1 CC(=O)NC M106450 [1,0,1,0,0,0|1,0,0]=3 877 B4R0.1 CC(=O)NN A151537 [1,0,1,0,0,0|2,0,0]=4 878 B4R0.1 CC(=O)NO A106239 [1,0,1,0,0,0|1,1,0]=4 879 B4R0.1 CC(=O)OC M103353 [1,0,1,0,0,0|0,1,0]=3 880 B4R0.1 CC(=O)OC M103354 [1,0,1,0,0,0|0,1,0]=3 881 B4R0.1 CC(=O)OC M103356 [1,0,1,0,0,0|0,1,0]=3 882 B4R0.1 CC(=O)OC M103357 [1,0,1,0,0,0|0,1,0]=3 883 B4R0.1 CC(=O)OC M103358 [1,0,1,0,0,0|0,1,0]=3 884 B4R0.1 CC(=O)OC M103359 [1,0,1,0,0,0|0,1,0]=3 885 B4R0.1 CC(=O)O[Al] A283286 [1,0,1,0,0,0|1,1,0]=4 886 B4R0.1 CC(=O)SC S161332 [1,0,1,0,0,0|0,0,0]=2 887 B4R0.1 CC(C)CS M102325 [1,0,1,0,0,0|1,0,1]=4 888 B4R0.1 CC(C)SC I132403 [1,0,1,0,0,0|1,0,1]=4 889 B4R0.1 CC(CS)S P160528 [1,0,1,0,0,0|0,1,1]=4 890 B4R0.1 CC=C(C)Br B151979 [1,0,1,0,0,0|1,0,1]=4 891 B4R0.1 CC=C(C)Cl C153915 [1,0,1,0,0,0|1,0,1]=4 892 B4R0.1 CCC(=N)N P588869 [1,0,1,0,0,0|2,0,0]=4 893 B4R0.1 CCC(=O)Br P107847 [1,0,1,0,0,0|1,0,0]=3 894 B4R0.1 CCC(=O)C B471974 [1,0,1,0,0,0|0,0,0]=2 895 B4R0.1 CCC(=O)Cl P108665 [1,0,1,0,0,0|1,0,0]=3 896 B4R0.1 CCC(=O)N P104016 [1,0,1,0,0,0|1,0,0]=3 897 B4R0.1 CCC(=O)O P110443 [1,0,1,0,0,0|0,1,0]=3 898 B4R0.1 CCC(=O)O P110444 [1,0,1,0,0,0|0,1,0]=3 899 B4R0.1 CCC(=O)O P110445 [1,0,1,0,0,0|0,1,0]=3 900 B4R0.1 CCC(=O)O P110446 [1,0,1,0,0,0|0,1,0]=3 901 B4R0.1 CCC(=O)O P110447 [1,0,1,0,0,0|0,1,0]=3 902 B4R0.1 CCC(=O)O P301795 [1,0,1,0,0,0|0,1,0]=3 903 B4R0.1 CCC(=O)O P343294 [1,0,1,0,0,0|0,1,0]=3 904 B4R0.1 CCC(=O)O P346208 [1,0,1,0,0,0|0,1,0]=3 905 B4R0.1 CCC(=O)O P434195 [1,0,1,0,0,0|0,1,0]=3 906 B4R0.1 CCC(=O)[O-] C112470 [1,0,1,0,0,0|0,1,0]=3 907 B4R0.1 CCC(=O)[O-] C112471 [1,0,1,0,0,0|0,1,0]=3 908 B4R0.1 CCC(=O)[O-] C492256 [1,0,1,0,0,0|0,1,0]=3 909 B4R0.1 CCC(=O)[O-] P160177 [1,0,1,0,0,0|0,1,0]=3 910 B4R0.1 CCC(=O)[O-] S100120 [1,0,1,0,0,0|0,1,0]=3 911 B4R0.1 CCC(=O)[O-] S100121 [1,0,1,0,0,0|0,1,0]=3 912 B4R0.1 CCC(=O)[O-] S100122 [1,0,1,0,0,0|0,1,0]=3 913 B4R0.1 CCC(=O)[O-] S346177 [1,0,1,0,0,0|0,1,0]=3 914 B4R0.1 CCC(=O)[O-] Z346699 [1,0,1,0,0,0|0,1,0]=3 915 B4R0.1 CCC(C)Br B109117 [1,0,1,0,0,0|1,0,1]=4 916 B4R0.1 CCC(C)Br B109118 [1,0,1,0,0,0|1,0,1]=4 917 B4R0.1 CCC(C)Cl C109267 [1,0,1,0,0,0|1,0,1]=4 918 B4R0.1 CCC(C)Cl C109268 [1,0,1,0,0,0|1,0,1]=4 919 B4R0.1 CCC(C)I B105795 [1,0,1,0,0,0|1,0,1]=4 920 B4R0.1 CCC(C)N B105239 [1,0,1,0,0,0|1,0,1]=4 921 B4R0.1 CCC(C)N I166970 [1,0,1,0,0,0|1,0,1]=4 922 B4R0.1 CCC(C)N S161321 [1,0,1,0,0,0|1,0,1]=4 923 B4R0.1 CCC(C)O B110360 [1,0,1,0,0,0|0,0,2]=4 924 B4R0.1 CCC(C)O B110361 [1,0,1,0,0,0|0,0,2]=4 925 B4R0.1 CCC(C)O B110362 [1,0,1,0,0,0|0,0,2]=4 926 B4R0.1 CCC(C)O B110365 [1,0,1,0,0,0|0,0,2]=4 927 B4R0.1 CCC(C)O R138264 [1,0,1,0,0,0|0,0,2]=4 928 B4R0.1 CCC(C)O S138824 [1,0,1,0,0,0|0,0,2]=4 929 B4R0.1 CCC(C)S B102330 [1,0,1,0,0,0|0,1,1]=4 930 B4R0.1 CCS(=O)[O-] S182544 [1,0,1,0,0,0|1,1,0]=4 931 B4R0.1 CC[Si](C)C E194931 [1,0,1,0,0,0|1,1,0]=4 932 B4R0.1 CNC(=O)Cl M304270 [1,0,1,0,0,0|2,0,0]=4 933 B4R0.1 CNC(=O)N M107951 [1,0,1,0,0,0|2,0,0]=4 934 B4R0.1 COC(=O)N M110332 [1,0,1,0,0,0|1,1,0]=4 935 B4R0.1 CSC(=N)N M108041 [1,0,1,0,0,0|2,0,0]=4 936 B4R0.2 C(CN)CS A476835 [1,0,1,0,0,0|1,0,1]=4 937 B4R0.2 C(CO)C=O H588118 [1,0,1,0,0,0|0,1,0]=3 938 B4R0.2 C(CO)CS M158215 [1,0,1,0,0,0|0,0,2]=4 939 B4R0.2 C(CS)C#N M302020 [1,0,1,0,0,0|1,0,1]=4 940 B4R0.2 C(CS)CS P100845 [1,0,1,0,0,0|0,1,1]=4 941 B4R0.2 C=CCCBr B106906 [1,0,1,0,0,0|1,0,1]=4 942 B4R0.2 C=CCCCl C405543 [1,0,1,0,0,0|1,0,1]=4 943 B4R0.2 C=CCCN B167997 [1,0,1,0,0,0|1,0,1]=4 944 B4R0.2 C=CCCO B120318 [1,0,1,0,0,0|0,1,1]=4 945 B4R0.2 CC=CCCl C153477 [1,0,1,0,0,0|1,0,1]=4 946 B4R0.2 CC=CCCl C153917 [1,0,1,0,0,0|1,0,1]=4 947 B4R0.2 CC=CCO C106252 [1,0,1,0,0,0|0,1,1]=4 948 B4R0.2 CCC=C=C P160269 [1,0,1,0,0,0|1,0,1]=4 949 B4R0.2 CCCC=O B100299 [1,0,1,0,0,0|0,0,0]=2 950 B4R0.2 CCCC=O B100302 [1,0,1,0,0,0|0,0,0]=2 951 B4R0.2 CCCC=O B305593 [1,0,1,0,0,0|0,0,0]=2 952 B4R0.2 CCCCBr B105250 [1,0,1,0,0,0|1,0,1]=4 953 B4R0.2 CCCCBr B105252 [1,0,1,0,0,0|1,0,1]=4 954 B4R0.2 CCCCBr B105256 [1,0,1,0,0,0|1,0,1]=4 955 B4R0.2 CCCCBr B472078 [1,0,1,0,0,0|1,0,1]=4 956 B4R0.2 CCCCCl C103252 [1,0,1,0,0,0|1,0,1]=4 957 B4R0.2 CCCCCl C103253 [1,0,1,0,0,0|1,0,1]=4 958 B4R0.2 CCCCCl C103255 [1,0,1,0,0,0|1,0,1]=4 959 B4R0.2 CCCCCl C103256 [1,0,1,0,0,0|1,0,1]=4 960 B4R0.2 CCCCCl C118434 [1,0,1,0,0,0|1,0,1]=4 961 B4R0.2 CCCCI I108560 [1,0,1,0,0,0|1,0,1]=4 962 B4R0.2 CCCCN B110356 [1,0,1,0,0,0|1,0,1]=4 963 B4R0.2 CCCCN B110357 [1,0,1,0,0,0|1,0,1]=4 964 B4R0.2 CCCCN B110358 [1,0,1,0,0,0|1,0,1]=4 965 B4R0.2 CCCCN B110359 [1,0,1,0,0,0|1,0,1]=4 966 B4R0.2 CCCCN B152519 [1,0,1,0,0,0|1,0,1]=4 967 B4R0.2 CCCCN B152886 [1,0,1,0,0,0|1,0,1]=4 968 B4R0.2 CCCCN B152948 [1,0,1,0,0,0|1,0,1]=4 969 B4R0.2 CCCCN B491792 [1,0,1,0,0,0|1,0,1]=4 970 B4R0.2 CCCCN B492127 [1,0,1,0,0,0|1,0,1]=4 971 B4R0.2 CCCCN B492132 [1,0,1,0,0,0|1,0,1]=4 972 B4R0.2 CCCCN B492157 [1,0,1,0,0,0|1,0,1]=4 973 B4R0.2 CCCCN B494094 [1,0,1,0,0,0|1,0,1]=4 974 B4R0.2 CCCCO B111569 [1,0,1,0,0,0|0,0,2]=4 975 B4R0.2 CCCCO B111571 [1,0,1,0,0,0|0,0,2]=4 976 B4R0.2 CCCCO B111573 [1,0,1,0,0,0|0,0,2]=4 977 B4R0.2 CCCCO B111575 [1,0,1,0,0,0|0,0,2]=4 978 B4R0.2 CCCCO B111577 [1,0,1,0,0,0|0,0,2]=4 979 B4R0.2 CCCCO B111578 [1,0,1,0,0,0|0,0,2]=4 980 B4R0.2 CCCCO B111580 [1,0,1,0,0,0|0,0,2]=4 981 B4R0.2 CCCCO B111581 [1,0,1,0,0,0|0,0,2]=4 982 B4R0.2 CCCCO B119677 [1,0,1,0,0,0|0,0,2]=4 983 B4R0.2 CCCCO B400251 [1,0,1,0,0,0|0,0,2]=4 984 B4R0.2 CCCCO B433378 [1,0,1,0,0,0|0,0,2]=4 985 B4R0.2 CCCCO B474143 [1,0,1,0,0,0|0,0,2]=4 986 B4R0.2 CCCCO H348242 [1,0,1,0,0,0|0,0,2]=4 987 B4R0.2 CCCCO P340766 [1,0,1,0,0,0|0,0,2]=4 988 B4R0.2 CCCCS B105716 [1,0,1,0,0,0|0,0,1]=3 989 B4R0.2 CCCCS B105717 [1,0,1,0,0,0|0,0,1]=3 990 B4R0.2 CCCC[CH2-] P331063 [1,0,1,0,0,0|1,0,1]=4 991 B4R0.2 CCCC[CH2-] P466408 [1,0,1,0,0,0|1,0,1]=4 992 B4R0.2 CCCC[O-] N335856 [1,0,1,0,0,0|0,0,2]=4 993 B4R0.2 CCCC[O-] T104104 [1,0,1,0,0,0|0,0,2]=4 994 B4R0.2 CCCC[O-] T104105 [1,0,1,0,0,0|0,0,2]=4 995 B4R0.2 CCCC[O-] T304454 [1,0,1,0,0,0|0,0,2]=4 996 B4R0.2 CCCC[O-] T350722 [1,0,1,0,0,0|0,0,2]=4 997 B4R0.2 CCCC[O-] Z106334 [1,0,1,0,0,0|0,0,2]=4 998 B4R0.2 CCCNC M124663 [1,0,1,0,0,0|1,0,1]=4 999 B4R0.2 CCCSC M158417 [1,0,1,0,0,0|0,0,1]=3 1000 B4R0.2 CCNC=O N159329 [1,0,1,0,0,0|1,0,0]=3 1001 B4R0.2 CCNCC D110465 [1,0,1,0,0,0|1,0,1]=4 1002 B4R0.2 CCNCC D110466 [1,0,1,0,0,0|1,0,1]=4 1003 B4R0.2 CCNCC D110469 [1,0,1,0,0,0|1,0,1]=4 1004 B4R0.2 CCNCC D110470 [1,0,1,0,0,0|1,0,1]=4 1005 B4R0.2 CCNCC D154676 [1,0,1,0,0,0|1,0,1]=4 1006 B4R0.2 CCNCC D155612 [1,0,1,0,0,0|1,0,1]=4 1007 B4R0.2 CCNCC E102892 [1,0,1,0,0,0|1,0,1]=4 1008 B4R0.2 CCNCC E102893 [1,0,1,0,0,0|1,0,1]=4 1009 B4R0.2 CCOC=C P475896 [1,0,1,0,0,0|0,1,1]=4 1010 B4R0.2 CCOC=O E110412 [1,0,1,0,0,0|0,1,0]=3 1011 B4R0.2 CCOC=O E110414 [1,0,1,0,0,0|0,1,0]=3 1012 B4R0.2 CCOC=O E110415 [1,0,1,0,0,0|0,1,0]=3 1013 B4R0.2 CCOC=O E110417 [1,0,1,0,0,0|0,1,0]=3 1014 B4R0.2 CCOC=O E139940 [1,0,1,0,0,0|0,1,0]=3 1015 B4R0.2 CCOCC B104430 [1,0,1,0,0,0|0,1,1]=4 1016 B4R0.2 CCOCC B104431 [1,0,1,0,0,0|0,1,1]=4 1017 B4R0.2 CCOCC B299094 [1,0,1,0,0,0|0,1,1]=4 1018 B4R0.2 CCOCC B431395 [1,0,1,0,0,0|0,1,1]=4 1019 B4R0.2 CCOCC M345280 [1,0,1,0,0,0|0,1,1]=4 1020 B4R0.2 CCOCC T189182 [1,0,1,0,0,0|0,1,1]=4 1021 B4R0.2 CCOCC T498340 [1,0,1,0,0,0|0,1,1]=4 1022 B4R0.2 CCOCCl C137178 [1,0,1,0,0,0|1,1,0]=4 1023 B4R0.2 CCSC#N E156402 [1,0,1,0,0,0|1,0,1]=4 1024 B4R0.2 CCSC=C E156347 [1,0,1,0,0,0|0,0,1]=3 1025 B4R0.2 CCSCC C130098 [1,0,1,0,0,0|0,0,1]=3 1026 B4R0.2 CCSCC D105796 [1,0,1,0,0,0|0,0,1]=3 1027 B4R0.2 CC[N-]CC L283253 [1,0,1,0,0,0|1,0,1]=4 1028 B4R0.2 CC[Si]CC D331180 [1,0,1,0,0,0|1,0,1]=4 1029 B4R0.2 CNCC=C I136680 [1,0,1,0,0,0|1,0,1]=4 1030 B4R0.2 CNCCBr B589001 [1,0,1,0,0,0|2,0,0]=4 1031 B4R0.2 CNCCCl M303747 [1,0,1,0,0,0|2,0,0]=4 1032 B4R0.2 CNCCN N159347 [1,0,1,0,0,0|2,0,0]=4 1033 B4R0.2 CNCCO M106448 [1,0,1,0,0,0|1,0,1]=4 1034 B4R0.2 CNCCO M589702 [1,0,1,0,0,0|1,0,1]=4 1035 B4R0.2 COCC=C A135232 [1,0,1,0,0,0|0,1,1]=4 1036 B4R0.2 COCCBr B139139 [1,0,1,0,0,0|1,1,0]=4 1037 B4R0.2 COCCCl C108060 [1,0,1,0,0,0|1,1,0]=4 1038 B4R0.2 COCCN M138018 [1,0,1,0,0,0|1,1,0]=4 1039 B4R0.2 COCCN M404735 [1,0,1,0,0,0|1,1,0]=4 1040 B4R0.2 COCCN M493557 [1,0,1,0,0,0|1,1,0]=4 1041 B4R0.2 COCCO M102852 [1,0,1,0,0,0|0,1,1]=4 1042 B4R0.2 COCCO M102853 [1,0,1,0,0,0|0,1,1]=4 1043 B4R0.2 COCCO M102854 [1,0,1,0,0,0|0,1,1]=4 1044 B4R0.2 COCCO M102855 [1,0,1,0,0,0|0,1,1]=4 1045 B4R0.2 COCCO M102856 [1,0,1,0,0,0|0,1,1]=4 1046 B4R0.2 COCCO M102857 [1,0,1,0,0,0|0,1,1]=4 1047 B4R0.2 COCCO M102858 [1,0,1,0,0,0|0,1,1]=4 1048 B4R0.2 COCCO M119725 [1,0,1,0,0,0|0,1,1]=4 1049 B4R0.2 COCOC D101433 [1,0,1,0,0,0|1,1,0]=4 1050 B4R0.2 COCOC D101436 [1,0,1,0,0,0|1,1,0]=4 1051 B4R0.2 COCOC F431409 [1,0,1,0,0,0|1,1,0]=4 1052 B4R0.2 CSCC#N M158307 [1,0,1,0,0,0|1,0,1]=4 1053 B4R0.2 CSCC=C A101060 [1,0,1,0,0,0|0,0,1]=3 1054 B4R0.2 CSCCCl C153648 [1,0,1,0,0,0|1,0,0]=3 1055 B4R0.2 CSCCN M113671 [1,0,1,0,0,0|1,0,0]=3 1056 B4R0.2 CSCCN M194629 [1,0,1,0,0,0|1,0,0]=3 1057 B4R0.2 CSCCO M138946 [1,0,1,0,0,0|0,0,1]=3 1058 B4R0.2 CSCSC B140648 [1,0,1,0,0,0|1,0,0]=3 1059 B4R0.2 CSSSC D103087 [1,0,1,0,0,0|2,0,0]=4 1060 B6R0.1 C(C(=O)NCO)Cl C169257 [0,1,1,0,0,0|1,1,0]=4 1061 B6R0.1 CC#CC(=O)OC M158860 [0,1,1,0,0,0|1,0,1]=4 1062 B6R0.1 CC=CC(=O)OC M109486 [0,1,1,0,0,0|1,0,1]=4 1063 B6R0.1 CCC(=O)C=CC E404567 [0,1,1,0,0,0|1,0,1]=4 1064 B6R0.1 CCC(=O)C=CC H111425 [0,1,1,0,0,0|1,0,1]=4 1065 B6R0.1 CCC(=O)OCC E103457 [0,1,1,0,0,0|2,0,0]=4 1066 B6R0.1 CCC(=O)OCC E103458 [0,1,1,0,0,0|2,0,0]=4 1067 B6R0.1 CCC(=O)OCC E103459 [0,1,1,0,0,0|2,0,0]=4 1068 B6R0.1 CCC(=O)OCC E103460 [0,1,1,0,0,0|2,0,0]=4 1069 B6R0.1 CCC(=O)OCC E278958 [0,1,1,0,0,0|2,0,0]=4 1070 B6R0.1 CCC(=O)SCC S133123 [0,1,1,0,0,0|2,0,0]=4 1071 B6R0.1 CCC=C(C)C=O M102187 [0,1,1,0,0,0|1,0,1]=4 1072 B6R0.1 CCCC(=O)CC H106710 [0,1,1,0,0,0|1,0,0]=3 1073 B6R0.1 CCCC(=O)NN B183968 [0,1,1,0,0,0|2,0,0]=4 1074 B6R0.1 CCCC(=O)OC M100038 [0,1,1,0,0,0|1,0,0]=3 1075 B6R0.1 CCCC(=O)OC M100039 [0,1,1,0,0,0|1,0,0]=3 1076 B6R0.1 CCCC(=O)OC M100040 [0,1,1,0,0,0|1,0,0]=3 1077 B6R0.1 CCCC(=O)SC M102997 [0,1,1,0,0,0|1,0,0]=3 1078 B6R0.1 CCCC(C)C=O M158691 [0,1,1,0,0,0|1,0,1]=4 1079 B6R0.1 CCOC(=O)CBr E106090 [0,1,1,0,0,0|2,0,0]=4 1080 B6R0.1 CCOC(=O)CCl E105166 [0,1,1,0,0,0|2,0,0]=4 1081 B6R0.1 CCOC(=O)CCl E105167 [0,1,1,0,0,0|2,0,0]=4 1082 B6R0.1 CCOC(=O)CF E107563 [0,1,1,0,0,0|2,0,0]=4 1083 B6R0.1 CCOC(=O)CN G105477 [0,1,1,0,0,0|2,0,0]=4 1084 B6R0.1 CCOC(=O)CO E101730 [0,1,1,0,0,0|2,0,0]=4 1085 B6R0.1 CCOC(=O)CS E109439 [0,1,1,0,0,0|2,0,0]=4 1086 B6R0.1 CCOC(=O)OC E110111 [0,1,1,0,0,0|2,0,0]=4 1087 B6R0.1 CCOC(=O)OC E433135 [0,1,1,0,0,0|2,0,0]=4 1088 B6R0.1 CNC(=O)CC#N C185694 [0,1,1,0,0,0|1,0,1]=4 1089 B6R0.1 COC(=O)CC#N M110112 [0,1,1,0,0,0|1,0,1]=4 1090 B6R0.1 COC(=O)CC=C M341924 [0,1,1,0,0,0|1,0,1]=4 1091 B6R0.1 COC(=O)CCBr M158830 [0,1,1,0,0,0|1,0,0]=3 1092 B6R0.1 COC(=O)CCN A104532 [0,1,1,0,0,0|1,0,0]=3 1093 B6R0.1 COC(=O)CCO D304149 [0,1,1,0,0,0|0,1,0]=3 1094 B6R0.1 COC(=O)CCS M107600 [0,1,1,0,0,0|0,0,0]=2 1095 B6R0.1 COC(=O)CSC M120419 [0,1,1,0,0,0|0,0,0]=2 1096 B6R0.1 COC(=O)C[N+]#[C-] M157837 [0,1,1,0,0,0|1,0,1]=4 1097 B6R0.1 COC(=O)OCCl C347908 [0,1,1,0,0,0|2,0,0]=4 1098 B6R0.1 COCC(=O)OC M106398 [0,1,1,0,0,0|0,1,0]=3 1099 B6R0.2 CC(=C)OC(=O)C I108612 [0,1,1,0,0,0|2,0,0]=4 1100 B6R0.2 CC(=CC(=O)C)C M105926 [0,1,1,0,0,0|1,0,1]=4 1101 B6R0.2 CC(=CC(=O)C)C M105927 [0,1,1,0,0,0|1,0,1]=4 1102 B6R0.2 CC(=CC(=O)C)C M105928 [0,1,1,0,0,0|1,0,1]=4 1103 B6R0.2 CC(=CC(=O)C)N F156686 [0,1,1,0,0,0|1,0,1]=4 1104 B6R0.2 CC(=CC(=O)C)O A118525 [0,1,1,0,0,0|1,0,1]=4 1105 B6R0.2 CC(=CC(=O)C)O A118538 [0,1,1,0,0,0|1,0,1]=4 1106 B6R0.2 CC(=CC(=O)C)O A579873 [0,1,1,0,0,0|1,0,1]=4 1107 B6R0.2 CC(=CC(=O)C)O B152272 [0,1,1,0,0,0|1,0,1]=4 1108 B6R0.2 CC(=CC(=O)C)O C109323 [0,1,1,0,0,0|1,0,1]=4 1109 B6R0.2 CC(=CC(=O)C)O C140817 [0,1,1,0,0,0|1,0,1]=4 1110 B6R0.2 CC(=CC(=O)C)O C283471 [0,1,1,0,0,0|1,0,1]=4 1111 B6R0.2 CC(=CC(=O)C)O C486854 [0,1,1,0,0,0|1,0,1]=4 1112 B6R0.2 CC(=CC(=O)C)O D302912 [0,1,1,0,0,0|1,0,1]=4 1113 B6R0.2 CC(=CC(=O)C)O E302901 [0,1,1,0,0,0|1,0,1]=4 1114 B6R0.2 CC(=CC(=O)C)O E347622 [0,1,1,0,0,0|1,0,1]=4 1115 B6R0.2 CC(=CC(=O)C)O G304265 [0,1,1,0,0,0|1,0,1]=4 1116 B6R0.2 CC(=CC(=O)C)O H107857 [0,1,1,0,0,0|1,0,1]=4 1117 B6R0.2 CC(=CC(=O)C)O I138305 [0,1,1,0,0,0|1,0,1]=4 1118 B6R0.2 CC(=CC(=O)C)O I294571 [0,1,1,0,0,0|1,0,1]=4 1119 B6R0.2 CC(=CC(=O)C)O M106182 [0,1,1,0,0,0|1,0,1]=4 1120 B6R0.2 CC(=CC(=O)C)O P101065 [0,1,1,0,0,0|1,0,1]=4 1121 B6R0.2 CC(=CC(=O)C)O P119025 [0,1,1,0,0,0|1,0,1]=4 1122 B6R0.2 CC(=CC(=O)C)O P119026 [0,1,1,0,0,0|1,0,1]=4 1123 B6R0.2 CC(=CC(=O)C)O P293928 [0,1,1,0,0,0|1,0,1]=4 1124 B6R0.2 CC(=CC(=O)C)O R118502 [0,1,1,0,0,0|1,0,1]=4 1125 B6R0.2 CC(=CC(=O)C)O R118539 [0,1,1,0,0,0|1,0,1]=4 1126 B6R0.2 CC(=CC(=O)C)O R118540 [0,1,1,0,0,0|1,0,1]=4 1127 B6R0.2 CC(=CC(=O)C)O R294372 [0,1,1,0,0,0|1,0,1]=4 1128 B6R0.2 CC(=CC(=O)C)O R639975 [0,1,1,0,0,0|1,0,1]=4 1129 B6R0.2 CC(=CC(=O)C)O S298504 [0,1,1,0,0,0|1,0,1]=4 1130 B6R0.2 CC(=CC(=O)C)O T283063 [0,1,1,0,0,0|1,0,1]=4 1131 B6R0.2 CC(=CC(=O)C)O T302818 [0,1,1,0,0,0|1,0,1]=4 1132 B6R0.2 CC(=CC(=O)C)O T302908 [0,1,1,0,0,0|1,0,1]=4 1133 B6R0.2 CC(=CC(=O)C)O V109324 [0,1,1,0,0,0|1,0,1]=4 1134 B6R0.2 CC(=CC(=O)C)O V109325 [0,1,1,0,0,0|1,0,1]=4 1135 B6R0.2 CC(=CC(=O)C)O Y191992 [0,1,1,0,0,0|1,0,1]=4 1136 B6R0.2 CC(=CC(=O)C)O Y283039 [0,1,1,0,0,0|1,0,1]=4 1137 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,1,1,0,0,0|1,0,1]=4 1138 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,1,1,0,0,0|1,0,1]=4 1139 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,1,1,0,0,0|1,0,1]=4 1140 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,1,1,0,0,0|1,0,1]=4 1141 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,1,1,0,0,0|1,0,1]=4 1142 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,1,1,0,0,0|1,0,1]=4 1143 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,1,1,0,0,0|1,0,1]=4 1144 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,1,1,0,0,0|1,0,1]=4 1145 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,1,1,0,0,0|1,0,1]=4 1146 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,1,1,0,0,0|1,0,1]=4 1147 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,1,1,0,0,0|1,0,1]=4 1148 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,1,1,0,0,0|1,0,1]=4 1149 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,1,1,0,0,0|1,0,1]=4 1150 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,1,1,0,0,0|1,0,1]=4 1151 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,1,1,0,0,0|1,0,1]=4 1152 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,1,1,0,0,0|1,0,1]=4 1153 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,1,1,0,0,0|1,0,1]=4 1154 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,1,1,0,0,0|1,0,1]=4 1155 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,1,1,0,0,0|1,0,1]=4 1156 B6R0.2 CC(=O)CC(=O)C A110366 [0,1,1,0,0,0|1,0,0]=3 1157 B6R0.2 CC(=O)CC(=O)C A110367 [0,1,1,0,0,0|1,0,0]=3 1158 B6R0.2 CC(=O)CC(=O)C A110370 [0,1,1,0,0,0|1,0,0]=3 1159 B6R0.2 CC(=O)CC(=O)N A194123 [0,1,1,0,0,0|0,1,1]=4 1160 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,1,1,0,0,0|0,1,1]=4 1161 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,1,1,0,0,0|0,1,1]=4 1162 B6R0.2 CC(=O)CN(C)C D167514 [0,1,1,0,0,0|1,0,0]=3 1163 B6R0.2 CC(=O)OC(=O)C A302240 [0,1,1,0,0,0|2,0,0]=4 1164 B6R0.2 CC(=O)OC(=O)C A474130 [0,1,1,0,0,0|2,0,0]=4 1165 B6R0.2 CC(=O)SC(=O)C A151355 [0,1,1,0,0,0|2,0,0]=4 1166 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,1,1,0,0,0|1,0,1]=4 1167 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,1,1,0,0,0|1,0,1]=4 1168 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,1,1,0,0,0|1,0,1]=4 1169 B6R0.2 CC(C)CC(=O)C M108736 [0,1,1,0,0,0|1,0,0]=3 1170 B6R0.2 CC(C)CC(=O)C M108737 [0,1,1,0,0,0|1,0,0]=3 1171 B6R0.2 CC(C)CC(=O)C M108738 [0,1,1,0,0,0|1,0,0]=3 1172 B6R0.2 CC(C)CC(=O)C M108740 [0,1,1,0,0,0|1,0,0]=3 1173 B6R0.2 CC(C)CC(=O)C M108741 [0,1,1,0,0,0|1,0,0]=3 1174 B6R0.2 CC(C)CC(=O)C M492092 [0,1,1,0,0,0|1,0,0]=3 1175 B6R0.2 CC(C)CC(=O)Cl I157679 [0,1,1,0,0,0|2,0,0]=4 1176 B6R0.2 CC(C)CC(=O)O I108280 [0,1,1,0,0,0|2,0,0]=4 1177 B6R0.2 CC(C)CC(=O)O I108281 [0,1,1,0,0,0|2,0,0]=4 1178 B6R0.2 CC(C)CC(=O)O I424338 [0,1,1,0,0,0|2,0,0]=4 1179 B6R0.2 CC(C)CC(=O)O I432771 [0,1,1,0,0,0|2,0,0]=4 1180 B6R0.2 CC(C)NC(=O)C N586389 [0,1,1,0,0,0|2,0,0]=4 1181 B6R0.2 CC(C)OC(=O)C I103453 [0,1,1,0,0,0|2,0,0]=4 1182 B6R0.2 CC(C)OC(=O)C I103454 [0,1,1,0,0,0|2,0,0]=4 1183 B6R0.2 CC(C)OC(=O)C I103455 [0,1,1,0,0,0|2,0,0]=4 1184 B6R0.2 CC(CC(=O)O)Br B169132 [0,1,1,0,0,0|2,0,0]=4 1185 B6R0.2 CC(CC(=O)O)Cl C153466 [0,1,1,0,0,0|2,0,0]=4 1186 B6R0.2 CC(CC(=O)O)N A100948 [0,1,1,0,0,0|2,0,0]=4 1187 B6R0.2 CC(CC(=O)O)N H117041 [0,1,1,0,0,0|2,0,0]=4 1188 B6R0.2 CC(CC(=O)O)N R184127 [0,1,1,0,0,0|2,0,0]=4 1189 B6R0.2 CC(CC(=O)O)N S193074 [0,1,1,0,0,0|2,0,0]=4 1190 B6R0.2 CC(CC(=O)O)O P347707 [0,1,1,0,0,0|1,1,0]=4 1191 B6R0.2 CC(CC(=O)O)O R304188 [0,1,1,0,0,0|1,1,0]=4 1192 B6R0.2 CC(CC(=O)O)O R425172 [0,1,1,0,0,0|1,1,0]=4 1193 B6R0.2 CC(CC(=O)O)O S161108 [0,1,1,0,0,0|1,1,0]=4 1194 B6R0.2 CC(CC(=O)O)O S194215 [0,1,1,0,0,0|1,1,0]=4 1195 B6R0.2 CC(CC(=O)[O-])O B301134 [0,1,1,0,0,0|1,1,0]=4 1196 B6R0.2 CC(CC(=O)[O-])O H121822 [0,1,1,0,0,0|1,1,0]=4 1197 B6R0.2 CC(CC(=O)[O-])O X131756 [0,1,1,0,0,0|1,1,0]=4 1198 B6R0.2 CC(OC(=O)C)Br B303662 [0,1,1,0,0,0|2,0,0]=4 1199 B6R0.2 CN(C)CC(=O)O D115675 [0,1,1,0,0,0|2,0,0]=4 1200 B6R0.2 CN(C)CC(=O)O N159831 [0,1,1,0,0,0|2,0,0]=4 1201 B6R0.2 CN(C)CC(=O)O N420632 [0,1,1,0,0,0|2,0,0]=4 1202 B6R0.3 C(C(C(=O)Cl)Br)Br D154492 [0,1,1,0,0,0|2,0,0]=4 1203 B6R0.3 C(C(C(=O)Cl)Cl)Cl D300835 [0,1,1,0,0,0|2,0,0]=4 1204 B6R0.3 C(C(C(=O)N)Br)Br D122847 [0,1,1,0,0,0|2,0,0]=4 1205 B6R0.3 C(C(C(=O)N)N)O S134102 [0,1,1,0,0,0|1,1,0]=4 1206 B6R0.3 C(C(C(=O)O)Br)Br D155446 [0,1,1,0,0,0|2,0,0]=4 1207 B6R0.3 C(C(C(=O)O)N)Cl C153754 [0,1,1,0,0,0|2,0,0]=4 1208 B6R0.3 C(C(C(=O)O)N)Cl C341469 [0,1,1,0,0,0|2,0,0]=4 1209 B6R0.3 C(C(C(=O)O)N)N D102444 [0,1,1,0,0,0|2,0,0]=4 1210 B6R0.3 C(C(C(=O)O)N)N D102445 [0,1,1,0,0,0|2,0,0]=4 1211 B6R0.3 C(C(C(=O)O)N)N O105987 [0,1,1,0,0,0|2,0,0]=4 1212 B6R0.3 C(C(C(=O)O)N)N S161147 [0,1,1,0,0,0|2,0,0]=4 1213 B6R0.3 C(C(C(=O)O)N)O D423121 [0,1,1,0,0,0|1,1,0]=4 1214 B6R0.3 C(C(C(=O)O)N)O D423225 [0,1,1,0,0,0|1,1,0]=4 1215 B6R0.3 C(C(C(=O)O)N)O L424779 [0,1,1,0,0,0|1,1,0]=4 1216 B6R0.3 C(C(C(=O)O)N)O L476400 [0,1,1,0,0,0|1,1,0]=4 1217 B6R0.3 C(C(C(=O)O)N)O S103483 [0,1,1,0,0,0|1,1,0]=4 1218 B6R0.3 C(C(C(=O)O)N)O S105977 [0,1,1,0,0,0|1,1,0]=4 1219 B6R0.3 C(C(C(=O)O)N)O S108219 [0,1,1,0,0,0|1,1,0]=4 1220 B6R0.3 C(C(C(=O)O)N)O S118658 [0,1,1,0,0,0|1,1,0]=4 1221 B6R0.3 C(C(C(=O)O)N)O S137887 [0,1,1,0,0,0|1,1,0]=4 1222 B6R0.3 C(C(C(=O)O)N)O S137888 [0,1,1,0,0,0|1,1,0]=4 1223 B6R0.3 C(C(C(=O)O)N)O S432938 [0,1,1,0,0,0|1,1,0]=4 1224 B6R0.3 C(C(C(=O)O)N)S C108237 [0,1,1,0,0,0|1,0,0]=3 1225 B6R0.3 C(C(C(=O)O)N)S C108238 [0,1,1,0,0,0|1,0,0]=3 1226 B6R0.3 C(C(C(=O)O)N)S C110184 [0,1,1,0,0,0|1,0,0]=3 1227 B6R0.3 C(C(C(=O)O)N)S C110436 [0,1,1,0,0,0|1,0,0]=3 1228 B6R0.3 C(C(C(=O)O)N)S C110437 [0,1,1,0,0,0|1,0,0]=3 1229 B6R0.3 C(C(C(=O)O)N)S C113143 [0,1,1,0,0,0|1,0,0]=3 1230 B6R0.3 C(C(C(=O)O)N)S C118575 [0,1,1,0,0,0|1,0,0]=3 1231 B6R0.3 C(C(C(=O)O)N)S D304972 [0,1,1,0,0,0|1,0,0]=3 1232 B6R0.3 C(C(C(=O)O)N)S L424532 [0,1,1,0,0,0|1,0,0]=3 1233 B6R0.3 C(C(C(=O)O)N)S L424534 [0,1,1,0,0,0|1,0,0]=3 1234 B6R0.3 C(C(C(=O)O)N)S L432833 [0,1,1,0,0,0|1,0,0]=3 1235 B6R0.3 C(C(C(=O)O)N)S S161428 [0,1,1,0,0,0|1,0,0]=3 1236 B6R0.3 C(C(C(=O)O)N)S S588042 [0,1,1,0,0,0|1,0,0]=3 1237 B6R0.3 C(C(C(=O)O)O)N I123583 [0,1,1,0,0,0|2,0,0]=4 1238 B6R0.3 C(C(C(=O)O)O)N S137278 [0,1,1,0,0,0|2,0,0]=4 1239 B6R0.3 C(C(C(=O)O)O)O D278734 [0,1,1,0,0,0|1,1,0]=4 1240 B6R0.3 CC(=O)C(=O)CBr B185016 [0,1,1,0,0,0|1,0,1]=4 1241 B6R0.3 CC(=O)C(=O)OC M136953 [0,1,1,0,0,0|0,1,1]=4 1242 B6R0.3 CC(=O)N(C)OC N159405 [0,1,1,0,0,0|1,1,0]=4 1243 B6R0.3 CC(C(=O)O)NC I133832 [0,1,1,0,0,0|2,0,0]=4 1244 B6R0.3 CC(C(=O)O)NC I135858 [0,1,1,0,0,0|2,0,0]=4 1245 B6R0.3 CC(C(=O)O)NC N303350 [0,1,1,0,0,0|2,0,0]=4 1246 B6R0.3 CC(C(=O)O)OC M193402 [0,1,1,0,0,0|1,1,0]=4 1247 B6R0.3 CC(C(=O)O)OC P477810 [0,1,1,0,0,0|1,1,0]=4 1248 B6R0.3 CC(CBr)C(=O)O B135992 [0,1,1,0,0,0|2,0,0]=4 1249 B6R0.3 CC(CN)C(=O)O D131745 [0,1,1,0,0,0|2,0,0]=4 1250 B6R0.3 CC(CN)C(=O)O R340811 [0,1,1,0,0,0|2,0,0]=4 1251 B6R0.3 CC(CN)C(=O)O S340803 [0,1,1,0,0,0|2,0,0]=4 1252 B6R0.3 CC(CO)C(=O)O R343446 [0,1,1,0,0,0|1,1,0]=4 1253 B6R0.3 CC(CS)C(=O)O M158216 [0,1,1,0,0,0|1,0,0]=3 1254 B6R0.3 CC=C(C)C(=O)C M158812 [0,1,1,0,0,0|1,0,1]=4 1255 B6R0.3 CC=C(C)C(=O)C M401547 [0,1,1,0,0,0|1,0,1]=4 1256 B6R0.3 CCC(=O)C(=O)C P106293 [0,1,1,0,0,0|1,0,1]=4 1257 B6R0.3 CCC(C(=O)Br)Br B135808 [0,1,1,0,0,0|2,0,0]=4 1258 B6R0.3 CCC(C(=O)C)S M102973 [0,1,1,0,0,0|1,0,0]=3 1259 B6R0.3 CCC(C(=O)Cl)Br B192121 [0,1,1,0,0,0|2,0,0]=4 1260 B6R0.3 CCC(C(=O)Cl)Cl C139250 [0,1,1,0,0,0|2,0,0]=4 1261 B6R0.3 CCC(C(=O)N)Cl B301389 [0,1,1,0,0,0|2,0,0]=4 1262 B6R0.3 CCC(C(=O)N)N A119770 [0,1,1,0,0,0|2,0,0]=4 1263 B6R0.3 CCC(C(=O)N)N A124384 [0,1,1,0,0,0|2,0,0]=4 1264 B6R0.3 CCC(C(=O)O)Br B108037 [0,1,1,0,0,0|2,0,0]=4 1265 B6R0.3 CCC(C(=O)O)Cl C153465 [0,1,1,0,0,0|2,0,0]=4 1266 B6R0.3 CCC(C(=O)O)Cl S161173 [0,1,1,0,0,0|2,0,0]=4 1267 B6R0.3 CCC(C(=O)O)N A109788 [0,1,1,0,0,0|2,0,0]=4 1268 B6R0.3 CCC(C(=O)O)N A111241 [0,1,1,0,0,0|2,0,0]=4 1269 B6R0.3 CCC(C(=O)O)N A111260 [0,1,1,0,0,0|2,0,0]=4 1270 B6R0.3 CCC(C(=O)O)N A414642 [0,1,1,0,0,0|2,0,0]=4 1271 B6R0.3 CCC(C(=O)O)N D422924 [0,1,1,0,0,0|2,0,0]=4 1272 B6R0.3 CCC(C(=O)O)O D298806 [0,1,1,0,0,0|2,0,0]=4 1273 B6R0.3 CCC(C(=O)O)O S192800 [0,1,1,0,0,0|2,0,0]=4 1274 B6R0.3 CCC(C(=O)[O-])O H101414 [0,1,1,0,0,0|2,0,0]=4 1275 B6R0.3 CCC(C)C(=O)C M158800 [0,1,1,0,0,0|1,0,0]=3 1276 B6R0.3 CCC(C)C(=O)O I167890 [0,1,1,0,0,0|2,0,0]=4 1277 B6R0.3 CCC(C)C(=O)O M107377 [0,1,1,0,0,0|2,0,0]=4 1278 B6R0.3 CCN(C)C(=O)C N193140 [0,1,1,0,0,0|2,0,0]=4 1279 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,1,1,0,0,0|1,1,0]=4 1280 B6R0.4 C#CCCC(=O)O P133515 [0,1,1,0,0,0|2,0,0]=4 1281 B6R0.4 C(CC(=O)Cl)CBr B102197 [0,1,1,0,0,0|2,0,0]=4 1282 B6R0.4 C(CC(=O)Cl)CCl C109449 [0,1,1,0,0,0|2,0,0]=4 1283 B6R0.4 C(CC(=O)N)CCl C168978 [0,1,1,0,0,0|2,0,0]=4 1284 B6R0.4 C(CC(=O)O)C#N C191241 [0,1,1,0,0,0|2,0,0]=4 1285 B6R0.4 C(CC(=O)O)CBr B106907 [0,1,1,0,0,0|2,0,0]=4 1286 B6R0.4 C(CC(=O)O)CCl C134513 [0,1,1,0,0,0|2,0,0]=4 1287 B6R0.4 C(CC(=O)O)CN A104200 [0,1,1,0,0,0|2,0,0]=4 1288 B6R0.4 C(CC(=O)O)CN A293557 [0,1,1,0,0,0|2,0,0]=4 1289 B6R0.4 C(CC(=O)O)CN A424756 [0,1,1,0,0,0|2,0,0]=4 1290 B6R0.4 C(CC(=O)O)CN A468499 [0,1,1,0,0,0|2,0,0]=4 1291 B6R0.4 C(CC(=O)O)CN A472038 [0,1,1,0,0,0|2,0,0]=4 1292 B6R0.4 C(CC(=O)O)CN G276591 [0,1,1,0,0,0|2,0,0]=4 1293 B6R0.4 C(CCl)NC(=O)N C153501 [0,1,1,0,0,0|2,0,0]=4 1294 B6R0.4 C(CCl)OC(=O)Cl C136442 [0,1,1,0,0,0|2,0,0]=4 1295 B6R0.4 C(CO)NC(=O)N H136122 [0,1,1,0,0,0|1,1,0]=4 1296 B6R0.4 C=CCCC(=O)Cl P278805 [0,1,1,0,0,0|2,0,0]=4 1297 B6R0.4 C=CCCC(=O)O P160582 [0,1,1,0,0,0|2,0,0]=4 1298 B6R0.4 CC(=CCCBr)C B470663 [0,1,1,0,0,0|2,0,0]=4 1299 B6R0.4 CC(=O)C=COC M113467 [0,1,1,0,0,0|0,1,1]=4 1300 B6R0.4 CC(=O)C=COC M434875 [0,1,1,0,0,0|0,1,1]=4 1301 B6R0.4 CC(=O)CCC=C H113634 [0,1,1,0,0,0|1,0,0]=3 1302 B6R0.4 CC(=O)CCCBr B345087 [0,1,1,0,0,0|1,0,0]=3 1303 B6R0.4 CC(=O)CCCCl C108070 [0,1,1,0,0,0|1,0,0]=3 1304 B6R0.4 CC(=O)CCSC M135087 [0,1,1,0,0,0|0,0,0]=2 1305 B6R0.4 CC(=O)NCC#N I170553 [0,1,1,0,0,0|1,0,1]=4 1306 B6R0.4 CC(=O)NCCN A117219 [0,1,1,0,0,0|1,0,0]=3 1307 B6R0.4 CC(=O)NCCO A112970 [0,1,1,0,0,0|0,1,0]=3 1308 B6R0.4 CC(=O)NCCO A112971 [0,1,1,0,0,0|0,1,0]=3 1309 B6R0.4 CC(=O)NCCS N347842 [0,1,1,0,0,0|0,0,0]=2 1310 B6R0.4 CC(=O)OCC#C P304196 [0,1,1,0,0,0|1,0,1]=4 1311 B6R0.4 CC(=O)OCC=C A107305 [0,1,1,0,0,0|1,0,1]=4 1312 B6R0.4 CC(=O)OCCBr B102635 [0,1,1,0,0,0|1,0,0]=3 1313 B6R0.4 CC(=O)OCCCl A140396 [0,1,1,0,0,0|1,0,0]=3 1314 B6R0.4 CC(=O)OCCN A588049 [0,1,1,0,0,0|1,0,0]=3 1315 B6R0.4 CC(=O)OCCO H156959 [0,1,1,0,0,0|0,1,0]=3 1316 B6R0.4 CC(=O)SCCN T340735 [0,1,1,0,0,0|1,0,0]=3 1317 B6R0.4 CC=CCC(=O)O P165142 [0,1,1,0,0,0|2,0,0]=4 1318 B6R0.4 CCCCC(=O)Br V162931 [0,1,1,0,0,0|2,0,0]=4 1319 B6R0.4 CCCCC(=O)C H105743 [0,1,1,0,0,0|1,0,0]=3 1320 B6R0.4 CCCCC(=O)C H105744 [0,1,1,0,0,0|1,0,0]=3 1321 B6R0.4 CCCCC(=O)C H111491 [0,1,1,0,0,0|1,0,0]=3 1322 B6R0.4 CCCCC(=O)C H141140 [0,1,1,0,0,0|1,0,0]=3 1323 B6R0.4 CCCCC(=O)Cl V107241 [0,1,1,0,0,0|2,0,0]=4 1324 B6R0.4 CCCCC(=O)N V162967 [0,1,1,0,0,0|2,0,0]=4 1325 B6R0.4 CCCCC(=O)O V108269 [0,1,1,0,0,0|2,0,0]=4 1326 B6R0.4 CCCCC(=O)O V108270 [0,1,1,0,0,0|2,0,0]=4 1327 B6R0.4 CCCCC(=O)O V108271 [0,1,1,0,0,0|2,0,0]=4 1328 B6R0.4 CCCCC(=O)O V108272 [0,1,1,0,0,0|2,0,0]=4 1329 B6R0.4 CCCCC(=O)O V302252 [0,1,1,0,0,0|2,0,0]=4 1330 B6R0.4 CCCCC(=O)[O-] S194180 [0,1,1,0,0,0|2,0,0]=4 1331 B6R0.4 CCCNC(=O)N P589707 [0,1,1,0,0,0|2,0,0]=4 1332 B6R0.4 CCCOC(=O)C P103882 [0,1,1,0,0,0|1,0,0]=3 1333 B6R0.4 CCCOC(=O)C P103883 [0,1,1,0,0,0|1,0,0]=3 1334 B6R0.4 CCCOC(=O)N P194271 [0,1,1,0,0,0|2,0,0]=4 1335 B6R0.4 CCCSC(=O)C S161333 [0,1,1,0,0,0|1,0,0]=3 1336 B6R0.4 CCNCC(=O)O N159193 [0,1,1,0,0,0|2,0,0]=4 1337 B6R0.4 CCOCC(=O)Cl E293992 [0,1,1,0,0,0|1,1,0]=4 1338 B6R0.4 CCOCC(=O)O E156174 [0,1,1,0,0,0|1,1,0]=4 1339 B6R0.4 CCSCC(=O)O E300419 [0,1,1,0,0,0|1,0,0]=3 1340 B6R0.4 CNCCC(=O)O M183299 [0,1,1,0,0,0|2,0,0]=4 1341 B6R0.4 COCCC(=O)O M169065 [0,1,1,0,0,0|1,1,0]=4 1342 B6R0.4 CSCCC(=O)Cl M158416 [0,1,1,0,0,0|1,0,0]=3 1343 B6R0.4 CSCCC(=O)O M158072 [0,1,1,0,0,0|1,0,0]=3 1344 B6R0.5 C(CS(=O)(=O)O)S S304898 [0,1,1,0,0,0|2,0,0]=4 1345 B6R0.5 C(CS(=O)(=O)[O-])S S301953 [0,1,1,0,0,0|2,0,0]=4 1346 B6R0.5 C(CS(=O)(=O)[O-])S S579533 [0,1,1,0,0,0|2,0,0]=4 1347 B6R0.5 CC(C)(CSC)N M588894 [0,1,1,0,0,0|1,0,1]=4 1348 B6R0.5 CS(=O)(=O)CCBr B587566 [0,1,1,0,0,0|2,0,0]=4 1349 B6R0.5 CS(=O)(=O)CCN A130035 [0,1,1,0,0,0|2,0,0]=4 1350 B6R0.5 CS(=O)(=O)CCN M589262 [0,1,1,0,0,0|2,0,0]=4 1351 B6R0.5 CS(=O)(=O)CCO H157188 [0,1,1,0,0,0|1,1,0]=4 1352 B6R0.5 [O-][S](=O)(=O)CCS M407758 [0,1,1,0,0,0|2,0,0]=4 1353 B6R0.6 C(CC=O)CC=O G105905 [0,1,1,0,0,0|1,0,1]=4 1354 B6R0.6 C(CC=O)CC=O G105906 [0,1,1,0,0,0|1,0,1]=4 1355 B6R0.6 C(CC=O)CC=O G105907 [0,1,1,0,0,0|1,0,1]=4 1356 B6R0.6 C(CC=O)CC=O G105908 [0,1,1,0,0,0|1,0,1]=4 1357 B6R0.6 C(CC=O)CC=O G359127 [0,1,1,0,0,0|1,0,1]=4 1358 B6R0.6 C(CC=O)CC=O G598815 [0,1,1,0,0,0|1,0,1]=4 1359 B6R0.6 C(CC=O)CC=O G639768 [0,1,1,0,0,0|1,0,1]=4 1360 B6R0.6 C(CSCCS)S B152744 [0,1,1,0,0,0|0,1,1]=4 1361 B6R0.6 C=CCCCCBr B122541 [0,1,1,0,0,0|2,0,0]=4 1362 B6R0.6 C=CCCCCCl C115790 [0,1,1,0,0,0|2,0,0]=4 1363 B6R0.6 C=CCCCCO H113637 [0,1,1,0,0,0|2,0,0]=4 1364 B6R0.6 C=CCOCCO A303300 [0,1,1,0,0,0|1,1,0]=4 1365 B6R0.6 C=CCOCCO A303301 [0,1,1,0,0,0|1,1,0]=4 1366 B6R0.6 C=CCOCCO E156080 [0,1,1,0,0,0|1,1,0]=4 1367 B6R0.6 C=CCSCC=C D101110 [0,1,1,0,0,0|1,0,1]=4 1368 B6R0.6 CCCC=CC=O H107633 [0,1,1,0,0,0|1,0,1]=4 1369 B6R0.6 CCCC=CC=O T425385 [0,1,1,0,0,0|1,0,1]=4 1370 B6R0.6 CCCCCC=C H110653 [0,1,1,0,0,0|2,0,0]=4 1371 B6R0.6 CCCCCC=C H110654 [0,1,1,0,0,0|2,0,0]=4 1372 B6R0.6 CCCCCC=C H110655 [0,1,1,0,0,0|2,0,0]=4 1373 B6R0.6 CCCCCC=O C109199 [0,1,1,0,0,0|1,0,0]=3 1374 B6R0.6 CCCCCC=O C109200 [0,1,1,0,0,0|1,0,0]=3 1375 B6R0.6 CCCCCSC A151354 [0,1,1,0,0,0|1,0,1]=4 1376 B6R0.6 CCCCOC=C B123186 [0,1,1,0,0,0|2,0,0]=4 1377 B6R0.6 CCCCOC=C B123187 [0,1,1,0,0,0|2,0,0]=4 1378 B6R0.6 CCCCOC=O B109260 [0,1,1,0,0,0|1,0,0]=3 1379 B6R0.6 CCCCOC=O B109261 [0,1,1,0,0,0|1,0,0]=3 1380 B6R0.6 CCCCON=O B134686 [0,1,1,0,0,0|2,0,0]=4 1381 B6R0.6 CCCCSCC B152507 [0,1,1,0,0,0|1,0,1]=4 1382 B6R0.6 CCCSCC=C A135608 [0,1,1,0,0,0|1,0,0]=3 1383 B6R0.6 CCCSCCC D102909 [0,1,1,0,0,0|1,0,1]=4 1384 B6R0.6 CCSCCCO E300079 [0,1,1,0,0,0|0,0,2]=4 1385 B6R0.6 CSCCCCO M468928 [0,1,1,0,0,0|0,0,2]=4 1386 B6R0.8 CCP(=O)(CC)O D590241 [0,1,1,0,0,0|2,0,0]=4 1387 B6R0.8 CCP(=O)(CC)[O-] A303123 [0,1,1,0,0,0|2,0,0]=4 1388 B6R0.8 CCS(=O)(=O)CC D304098 [0,1,1,0,0,0|2,0,0]=4 1389 B6R0.9 CCC(=CC)CC E156180 [0,1,1,0,0,0|2,0,0]=4 1390 B6R0.9 CCC(CC)C=O E156502 [0,1,1,0,0,0|1,0,1]=4 1391 B6R0.9 CCN(CC)C=O D102964 [0,1,1,0,0,0|2,0,0]=4 1392 B6R0.9 CCN(CC)N=O N109570 [0,1,1,0,0,0|2,0,0]=4 1393 B6R0.9 CCN(CC)N=O N109571 [0,1,1,0,0,0|2,0,0]=4 1394 B6R0.9 CCN(CC)N=O N358096 [0,1,1,0,0,0|2,0,0]=4 1395 B6R0.9 CCN(CC)N=O N424700 [0,1,1,0,0,0|2,0,0]=4 1396 B6R1.5 C1C(CC1O)N C172673 [0,1,0,0,1,0|0,0,2]=4 1397 B6R1.5 C1C(CC1O)N T172530 [0,1,0,0,1,0|0,0,2]=4 1398 B6R1.5 CC1CC(=O)O1 B152852 [0,1,0,0,1,0|0,1,0]=3 1399 B6R1.5 CN1CC(C1)O H586376 [0,1,0,0,1,0|2,0,0]=4 1400 B6R1.5 CN1CC(C1)O M175942 [0,1,0,0,1,0|2,0,0]=4 1401 B6R1.6 C1C(CO1)C=O O173275 [0,1,0,0,1,0|0,1,1]=4 1402 B6R1.6 C1CC(C1)C#N C479085 [0,1,0,0,1,0|1,0,1]=4 1403 B6R1.6 C1CC(C1)CBr B119331 [0,1,0,0,1,0|1,0,1]=4 1404 B6R1.6 C1CC(C1)CN C176494 [0,1,0,0,1,0|1,0,1]=4 1405 B6R1.6 C1CC(C1)CN C176749 [0,1,0,0,1,0|1,0,1]=4 1406 B6R1.6 C1CC(C1)CO C120878 [0,1,0,0,1,0|0,0,2]=4 1407 B6R1.10 C1C[Si](C1)(Cl)Cl D192215 [0,1,0,0,1,0|1,1,0]=4 1408 B6R1.10 CC1(CCC1)N M174981 [0,1,0,0,1,0|1,0,1]=4 1409 B6R1.10 CC1(CCC1)O M491477 [0,1,0,0,1,0|0,0,2]=4 1410 B6R1.10 C[Si]1(CCC1)C D168803 [0,1,0,0,1,0|1,1,0]=4 1411 B6R1.10 C[Si]1(CCC1)Cl C168869 [0,1,0,0,1,0|1,1,0]=4 1412 B8R1.2 C#CC1=CCCCC1 E156239 [0,1,0,0,0,1|2,0,0]=4 1413 B8R1.2 C1CC(CC=C1)C=O C154037 [0,1,0,0,0,1|1,0,1]=4 1414 B8R1.2 C1CCC(=CC1)C#N C153472 [0,1,0,0,0,1|2,0,0]=4 1415 B8R1.2 C1CCC(=CC1)C=O C468613 [0,1,0,0,0,1|1,0,0]=3 1416 B8R1.2 C1CCC(=NO)CC1 C109682 [0,1,0,0,0,1|1,0,1]=4 1417 B8R1.2 C1CCC(CC1)C=O C109681 [0,1,0,0,0,1|1,0,1]=4 1418 B8R1.2 C1CCN(CC1)C=O F106773 [0,1,0,0,0,1|2,0,0]=4 1419 B8R1.2 C1CN(CCN1)C=O F109560 [0,1,0,0,0,1|2,0,0]=4 1420 B8R1.2 C1CN(CCN1)C=O F140420 [0,1,0,0,0,1|2,0,0]=4 1421 B8R1.2 C1CN(CCN1)C=O F165274 [0,1,0,0,0,1|2,0,0]=4 1422 B8R1.2 C1CN(CCN1)C=O F639111 [0,1,0,0,0,1|2,0,0]=4 1423 B8R1.2 C1COCCC1C=O F184847 [0,1,0,0,0,1|0,1,1]=4 1424 B8R1.2 C1COCCN1C=O F111002 [0,1,0,0,0,1|1,1,0]=4 1425 B8R1.2 C1COCCN1N=O N114390 [0,1,0,0,0,1|1,1,0]=4 1426 B8R1.2 C1COCCN1N=O N163026 [0,1,0,0,0,1|1,1,0]=4 1427 B8R1.2 C1CSCCC1C#N T175435 [0,1,0,0,0,1|1,0,1]=4 1428 B8R1.3 C1C(=O)C=CC(O1)O H192951 [0,1,0,0,0,1|0,1,1]=4 1429 B8R1.3 C1C(=O)NCC(=O)N1 G156851 [0,1,0,0,0,1|1,0,1]=4 1430 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [0,1,0,0,0,1|0,1,1]=4 1431 B8R1.3 C1C(SCC(S1)O)O D103137 [0,1,0,0,0,1|0,0,2]=4 1432 B8R1.3 C1CC(=O)CCC1=O C110959 [0,1,0,0,0,1|1,0,0]=3 1433 B8R1.3 C1CC(=O)CCC1N A194532 [0,1,0,0,0,1|1,0,0]=3 1434 B8R1.3 C1CC(=O)CCC1O H190648 [0,1,0,0,0,1|1,0,0]=3 1435 B8R1.3 C1CC(=O)NCC1O H191838 [0,1,0,0,0,1|1,0,0]=3 1436 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,1,0,0,0,1|2,0,0]=4 1437 B8R1.3 CC1CCC(=O)CC1 M106719 [0,1,0,0,0,1|1,0,0]=3 1438 B8R1.3 CC1CCC(=O)CC1 M113653 [0,1,0,0,0,1|1,0,0]=3 1439 B8R1.3 CN1CCC(=O)CC1 N138232 [0,1,0,0,0,1|1,0,0]=3 1440 B8R1.4 C1C(=O)CSCC1=O H194597 [0,1,0,0,0,1|0,0,0]=2 1441 B8R1.4 C1C(=O)OC(=O)CO1 D154432 [0,1,0,0,0,1|0,1,1]=4 1442 B8R1.4 C1C(=O)OC(=O)CS1 T136548 [0,1,0,0,0,1|0,0,1]=3 1443 B8R1.4 C1CC(=CC(=O)C1)N A136183 [0,1,0,0,0,1|1,0,1]=4 1444 B8R1.4 C1CC(=O)CC(=O)C1 C106972 [0,1,0,0,0,1|1,0,0]=3 1445 B8R1.4 C1CC(=O)NC(=O)C1 G156850 [0,1,0,0,0,1|1,0,1]=4 1446 B8R1.4 C1CC(=O)OC(=O)C1 G111073 [0,1,0,0,0,1|1,0,1]=4 1447 B8R1.4 C1CC(=O)OC(=O)C1 G111074 [0,1,0,0,0,1|1,0,1]=4 1448 B8R1.4 C1CNC(=O)CC1=O P129071 [0,1,0,0,0,1|1,0,0]=3 1449 B8R1.4 C1CNC(=O)CC1N A174477 [0,1,0,0,0,1|1,0,0]=3 1450 B8R1.4 C1CNC(=O)CC1O H193522 [0,1,0,0,0,1|1,0,0]=3 1451 B8R1.4 C1CNC(=O)NC1=O D113497 [0,1,0,0,0,1|1,0,1]=4 1452 B8R1.4 CC1=CC(=O)CCC1 M104499 [0,1,0,0,0,1|1,0,1]=4 1453 B8R1.4 CC1=CC(CCC1)O M168575 [0,1,0,0,0,1|2,0,0]=4 1454 B8R1.4 CC1CC(=O)CCO1 M172463 [0,1,0,0,0,1|0,1,0]=3 1455 B8R1.4 CC1CCCC(=O)C1 M117710 [0,1,0,0,0,1|1,0,0]=3 1456 B8R1.4 CC1CCCC(=O)C1 R472235 [0,1,0,0,0,1|1,0,0]=3 1457 B8R1.4 CC1CCCC(=O)O1 D155361 [0,1,0,0,0,1|1,0,0]=3 1458 B8R1.4 CC1COCC(=O)N1 S586561 [0,1,0,0,0,1|0,1,0]=3 1459 B8R1.5 C1C(C(CSS1)O)O T330725 [0,1,0,0,0,1|0,0,2]=4 1460 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,1,0,0,0,1|1,0,0]=3 1461 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,1,0,0,0,1|1,0,0]=3 1462 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,1,0,0,0,1|1,0,0]=3 1463 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,1,0,0,0,1|1,0,0]=3 1464 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,1,0,0,0,1|1,0,0]=3 1465 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,1,0,0,0,1|1,0,0]=3 1466 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,1,0,0,0,1|1,0,0]=3 1467 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,1,0,0,0,1|1,0,0]=3 1468 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,1,0,0,0,1|1,0,0]=3 1469 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,1,0,0,0,1|1,0,0]=3 1470 B8R1.5 C1COCC(C1=O)F F176973 [0,1,0,0,0,1|0,1,0]=3 1471 B8R1.5 CC1C(=O)NCCN1 M168916 [0,1,0,0,0,1|1,0,0]=3 1472 B8R1.5 CC1C(=O)NCCN1 R195856 [0,1,0,0,0,1|1,0,0]=3 1473 B8R1.5 CC1CCCCC1=O M100791 [0,1,0,0,0,1|1,0,0]=3 1474 B8R1.5 CC1CNCCC1=O M589544 [0,1,0,0,0,1|1,0,0]=3 1475 B8R1.5 CN1CCCCC1=O N335945 [0,1,0,0,0,1|1,0,0]=3 1476 B8R1.5 CN1CCCNC1=O M493197 [0,1,0,0,0,1|2,0,0]=4 1477 B8R1.72 C1CCS(=O)(=O)NC1 B184097 [0,1,0,0,0,1|2,0,0]=4 1478 B8R1.72 C1CCS(=O)(=O)OC1 B152091 [0,1,0,0,0,1|2,0,0]=4 1479 B8R1.72 C1CS(=O)(=O)CCN1 T129089 [0,1,0,0,0,1|2,0,0]=4 1480 B8R1.72 C1CS(=O)(=O)CCN1 T176894 [0,1,0,0,0,1|2,0,0]=4 1481 B8R1.72 C1CS(=O)(=O)CCO1 D155539 [0,1,0,0,0,1|1,1,0]=4 1482 B8R1.72 C1CS(=O)(=O)NCN1 T344138 [0,1,0,0,0,1|2,0,0]=4 1483 B8R1.1 C1CC(=O)NC1CBr B102457 [0,2,0,0,0,0|2,0,0]=4 1484 B8R1.1 C1CC(=O)NC1CBr B102458 [0,2,0,0,0,0|2,0,0]=4 1485 B8R1.1 C1CC(=O)NC1CO H103185 [0,2,0,0,0,0|2,0,0]=4 1486 B8R1.1 C1CC(=O)NC1CO H103186 [0,2,0,0,0,0|2,0,0]=4 1487 B8R1.1 CCC1CCC(=O)O1 C111339 [0,2,0,0,0,0|2,0,0]=4 1488 B8R1.1 COC1=CC(=O)CC1 M170478 [0,2,0,0,0,0|1,0,1]=4 1489 B8R1.7 C1C(NCS1)C(=O)O T137734 [0,2,0,0,0,0|1,0,1]=4 1490 B8R1.7 C1C(NCS1)C(=O)O T303731 [0,2,0,0,0,0|1,0,1]=4 1491 B8R1.7 C1C(NCS1)C(=O)O T424020 [0,2,0,0,0,0|1,0,1]=4 1492 B8R1.7 C1CC=C(C1)C(=O)O C153747 [0,2,0,0,0,0|1,0,1]=4 1493 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [0,2,0,0,0,0|1,0,1]=4 1494 B8R1.7 C1CCC(C1)C(=O)N C357646 [0,2,0,0,0,0|1,0,1]=4 1495 B8R1.7 C1CCC(C1)C(=O)O C104489 [0,2,0,0,0,0|1,0,1]=4 1496 B8R1.7 C1CNCC1C(=O)O P176886 [0,2,0,0,0,0|1,0,1]=4 1497 B8R1.7 C1CNCC1C(=O)O P196048 [0,2,0,0,0,0|1,0,1]=4 1498 B8R1.7 C1CNCC1C(=O)O S134732 [0,2,0,0,0,0|1,0,1]=4 1499 B8R1.7 C1CNCC1C(=O)O S137345 [0,2,0,0,0,0|1,0,1]=4 1500 B8R1.7 C1COCC1C(=O)O R194491 [0,2,0,0,0,0|0,1,1]=4 1501 B8R1.7 C1COCC1C(=O)O T135700 [0,2,0,0,0,0|0,1,1]=4 1502 B8R1.7 CC(=O)C1CCCC1 C194132 [0,2,0,0,0,0|1,0,1]=4 1503 B8R1.7 CC(=O)N1CCCC1 A151303 [0,2,0,0,0,0|2,0,0]=4 1504 B8R1.8 C1CCC(C1)N=C=O C153263 [0,2,0,0,0,0|1,0,1]=4 1505 B8R1.11 C1C(C(=O)CS1)C#N C123550 [0,2,0,0,0,0|0,0,0]=2 1506 B8R1.11 C1CC(C(=O)C1)C#N C183485 [0,2,0,0,0,0|1,0,0]=3 1507 B8R1.11 C=CN1CCCC1=O P101410 [0,2,0,0,0,0|2,0,0]=4 1508 B8R1.11 C=CN1CCCC1=O P109104 [0,2,0,0,0,0|2,0,0]=4 1509 B8R1.11 C=CN1CCCC1=O P110567 [0,2,0,0,0,0|2,0,0]=4 1510 B8R1.11 C=CN1CCCC1=O P110607 [0,2,0,0,0,0|2,0,0]=4 1511 B8R1.11 C=CN1CCCC1=O P110608 [0,2,0,0,0,0|2,0,0]=4 1512 B8R1.11 C=CN1CCCC1=O P110609 [0,2,0,0,0,0|2,0,0]=4 1513 B8R1.11 C=CN1CCCC1=O P110610 [0,2,0,0,0,0|2,0,0]=4 1514 B8R1.11 C=CN1CCCC1=O P110611 [0,2,0,0,0,0|2,0,0]=4 1515 B8R1.11 C=CN1CCCC1=O P274371 [0,2,0,0,0,0|2,0,0]=4 1516 B8R1.11 C=CN1CCCC1=O P422896 [0,2,0,0,0,0|2,0,0]=4 1517 B8R1.11 C=CN1CCCC1=O P434439 [0,2,0,0,0,0|2,0,0]=4 1518 B8R1.11 C=CN1CCCC1=O P434440 [0,2,0,0,0,0|2,0,0]=4 1519 B8R1.11 C=CN1CCCC1=O P434441 [0,2,0,0,0,0|2,0,0]=4 1520 B8R1.11 C=CN1CCCC1=O P434442 [0,2,0,0,0,0|2,0,0]=4 1521 B8R1.11 C=CN1CCCC1=O P434443 [0,2,0,0,0,0|2,0,0]=4 1522 B8R1.11 C=CN1CCCC1=O P434444 [0,2,0,0,0,0|2,0,0]=4 1523 B8R1.11 C=CN1CCCC1=O R615356 [0,2,0,0,0,0|2,0,0]=4 1524 B8R1.11 C=CN1CCCC1=O V106155 [0,2,0,0,0,0|2,0,0]=4 1525 B8R1.11 CCN1CCCC1=O E101635 [0,2,0,0,0,0|2,0,0]=4 1526 B8R1.18 CC1CC(=O)OC1=O M102626 [0,2,0,0,0,0|2,0,0]=4 1527 B8R1.50 C1C(=O)N(C(=S)S1)N A167291 [0,2,0,0,0,0|1,0,1]=4 1528 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,2,0,0,0,0|2,0,0]=4 1529 B8R1.50 C1CC(=O)N(C1=O)Br B105057 [0,2,0,0,0,0|2,0,0]=4 1530 B8R1.50 C1CC(=O)N(C1=O)Br B105059 [0,2,0,0,0,0|2,0,0]=4 1531 B8R1.50 C1CC(=O)N(C1=O)Cl C105072 [0,2,0,0,0,0|2,0,0]=4 1532 B8R1.50 C1CC(=O)N(C1=O)I I107018 [0,2,0,0,0,0|2,0,0]=4 1533 B8R1.50 C1CC(=O)N(C1=O)O H109330 [0,2,0,0,0,0|2,0,0]=4 1534 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [0,2,0,0,0,0|1,0,1]=4 1535 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,2,0,0,0,0|1,0,1]=4 1536 B8R1.50 CC1C(=O)CCC1=O M136868 [0,2,0,0,0,0|1,0,0]=3 1537 B8R1.50 CC1CCC(=O)C1=O M109224 [0,2,0,0,0,0|1,0,1]=4 1538 B8R1.50 CC1CCC(=O)N1C D467310 [0,2,0,0,0,0|2,0,0]=4 1539 B8R1.50 CN1C(=O)CCC1=O N159128 [0,2,0,0,0,0|2,0,0]=4 1540 B8R1.50 CN1C(CCC1=O)O H351403 [0,2,0,0,0,0|2,0,0]=4 1541 B8R1.51 C1CS(=O)(=O)CC1=O T182043 [0,2,0,0,0,0|0,0,1]=3 1542 B8R1.51 C1CS(=O)(=O)CC1N T170729 [0,2,0,0,0,0|2,0,0]=4 1543 B8R1.51 C1CS(=O)(=O)CC1O S131961 [0,2,0,0,0,0|2,0,0]=4 1544 B8R1.51 CC1(CC(=O)C=C1)C D168778 [0,2,0,0,0,0|1,0,1]=4 1545 B8R1.51 CC1(CC(=O)NC1)C D194493 [0,2,0,0,0,0|2,0,0]=4 1546 B8R1.51 CC1(CCC(=O)C1)C D175598 [0,2,0,0,0,0|1,0,0]=3 1547 B8R1.51 CC1(CCC(=O)N1)C D193696 [0,2,0,0,0,0|2,0,0]=4 1548 B8R1.51 CC1CCS(=O)(=O)C1 M158451 [0,2,0,0,0,0|2,0,0]=4 1549 B8R1.19 CC1(CCCC1=O)C D131503 [0,2,0,0,0,0|1,0,0]=3 1550 B8R1.19 CC1(CCOC1=O)C A151224 [0,2,0,0,0,0|2,0,0]=4 1551 B8R1.19 CC1(CONC1=O)C D400297 [0,2,0,0,0,0|1,1,0]=4 1552 B6R1.11 C1CC1C(=O)Cl C133840 [0,0,1,1,0,0|2,0,0]=4 1553 B6R1.11 C1CC1C(=O)N C134392 [0,0,1,1,0,0|2,0,0]=4 1554 B6R1.11 C1CC1C(=O)O C106979 [0,0,1,1,0,0|2,0,0]=4 1555 B6R1.11 CC(=O)C1CC1 C108050 [0,0,1,1,0,0|1,0,0]=3 1556 B6R1.1 C1CCC=CC1 C112737 [0,0,1,1,0,0|2,0,0]=4 1557 B6R1.1 C1CCC=CC1 C112738 [0,0,1,1,0,0|2,0,0]=4 1558 B6R1.1 C1CCC=CC1 C118621 [0,0,1,1,0,0|2,0,0]=4 1559 B6R1.1 C1CNCC=C1 T168116 [0,0,1,1,0,0|2,0,0]=4 1560 B6R1.1 C1CSCCN1 T111124 [0,0,1,1,0,0|1,0,1]=4 1561 B6R1.1 C1CSCCO1 T161635 [0,0,1,1,0,0|0,0,2]=4 1562 B6R1.1 C1CSCCS1 D140294 [0,0,1,1,0,0|0,1,1]=4 1563 B6R1.1 C1CSCSC1 D124194 [0,0,1,1,0,0|0,1,1]=4 1564 B4R1.1 C1CNC1 A103569 [1,0,0,0,1,0|1,0,0]=3 1565 B4R1.1 C1CNC1 A123981 [1,0,0,0,1,0|1,0,0]=3 1566 B4R1.1 C1COC1 T162173 [1,0,0,0,1,0|0,1,0]=3 1567 B4R1.1 C1CSC1 T162103 [1,0,0,0,1,0|0,0,0]=2 1568 B4R1.2 C1CC1Br B107476 [0,0,0,0,2,0|1,0,1]=4 1569 B4R1.2 C1CC1Br B107477 [0,0,0,0,2,0|1,0,1]=4 1570 B4R1.2 C1CC1N C108049 [0,0,0,0,2,0|1,0,1]=4 1571 B4R1.2 C1CC1O C174869 [0,0,0,0,2,0|0,0,2]=4 1572 B4R1.2 CC1=CC1 M303407 [0,0,0,0,2,0|1,0,1]=4 1573 B4R1.2 CC1CS1 P160374 [0,0,0,0,2,0|1,0,1]=4 1574 B8R1.22 C1CC(=O)CCNC1 H121983 [0,0,0,0,0,2|1,0,0]=3 1575 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,0,0,0,0,2|1,0,0]=3 1576 B8R1.22 C1CCC(=O)NCC1 C111698 [0,0,0,0,0,2|1,0,0]=3 1577 B8R1.22 C1CCC(=O)NCC1 C111700 [0,0,0,0,0,2|1,0,0]=3 1578 B8R1.22 C1CCC(=O)OCC1 C109521 [0,0,0,0,0,2|1,0,0]=3 1579 B8R1.22 C1CCC(=O)OCC1 C398060 [0,0,0,0,0,2|1,0,0]=3 1580 B8R1.22 C1CCC(=O)OCC1 P299385 [0,0,0,0,0,2|1,0,0]=3 1581 B8R1.22 C1CCC(=O)OCC1 P398622 [0,0,0,0,0,2|1,0,0]=3 1582 B8R1.22 C1CCC(=O)OCC1 P478241 [0,0,0,0,0,2|1,0,0]=3 1583 B8R1.22 C1CCC(=O)OCC1 P485972 [0,0,0,0,0,2|1,0,0]=3 1584 B8R1.22 C1CCC(=O)OCC1 P579406 [0,0,0,0,0,2|1,0,0]=3 1585 B8R1.22 C1CCC(=S)NCC1 T140461 [0,0,0,0,0,2|1,1,0]=4 1586 B8R1.22 C1CCCC(=O)CC1 C111127 [0,0,0,0,0,2|1,0,0]=3 1587 B8R1.22 C1COCCNC1=O O189427 [0,0,0,0,0,2|0,1,0]=3 1588 B8R1.22 C=C1OCCCCO1 M194650 [0,0,0,0,0,2|2,0,0]=4