0 B6R0.9 C=CC(CC)CO DY822489 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.9 CCC(CN)OC DY610294 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.9 CC[O+](CC)CC DY794781 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.9 COC(C=O)OC DY822359 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 C=C(CBr)CBr DY526857 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.3 C=C(CO)CO NO21689 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 C=CC(Cl)CCl DY740791 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.3 C=CC(N)CO DY579231 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.3 C=C[C@H](O)CO DY625759 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.3 CCC(=O)OC DY460566 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.3 CCC(Br)C#N DY789951 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 CCC(N)CO DY20718 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.3 CCC(N)CO DY741331 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.3 CCC(O)CN DY519471 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.3 CCC(O)CO DY822703 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.3 CCN(O)CC DY551655 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.3 CC[C@@H](N)CO NO15119 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.3 CC[C@H](C)C#N DY822231 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.3 CC[C@H](N)CO DY10528 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.3 CC[C@H](O)CO NO15622 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.3 CNC(=O)CCl DY21094 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 CNC(=O)CN DY437710 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.3 CNC(=O)CN DY542271 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.3 COC(=O)CF DY822286 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.3 COC(=O)CN NO15045 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 COC(=O)CO NO19433 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.3 COC(=O)CS DY20578 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 CO[C@H](C)CN DY622119 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 CO[C@H](C)CN NO17733 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.3 CO[C@H](C)CO NO12306 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.3 NC(CO)CO NO18352 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.3 NCC(O)CN NO14232 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 NCC(O)CO NO18397 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 NC[C@@H](O)CO NO14832 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 NC[C@H](O)CCl DY427329 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 NC[C@H](O)CO DY20311 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 O=C(CBr)CBr DY572985 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 O=C(CO)CO NO11245 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 O=CC(Br)C=O NO18151 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 OC[C@@H](O)CCl NO15061 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 OC[C@H](O)CCl DY20314 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.12 CCN(CC)CCBr DY504939 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.12 CCN(CC)CCN DY21046 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.12 CCOC(CC)CN DY605537 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.12 COCC(OC)OC DY822270 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.15 CCC(CC)C(=O)[O-] DY21097 [0,1,0,0,0,0|0,0,0]=1 46 B7R0.15 CCN(CC)C(=O)Cl DY743005 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.15 CCN(CC)C(=S)S DY525003 [0,1,0,0,0,0|1,1,0]=3 48 B7R0.15 CCN(CC)C(=S)[S-] DY20803 [0,1,0,0,0,0|1,1,0]=3 49 B7R0.15 CCN(N=O)C(N)=O DY570591 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.15 COC(OC)C(C)=O DY20526 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.15 COC(OC)C(C)Br DY549099 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.18 CCC(N)(CO)CO NO21221 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.18 CC[N+](C)(CC)CC DY753169 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.18 CC[N+](C)(CC)CC DY822774 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.1 BrCC1CCCC1 DY20145 [0,0,0,1,0,0|1,0,1]=3 57 B7R1.1 C#CC1CCCC1 DY822738 [0,0,0,1,0,0|1,0,1]=3 58 B7R1.1 C#CC1CCCO1 DY586043 [0,0,0,1,0,0|2,0,1]=4 59 B7R1.1 C#CC1CCOC1 DY103679 [0,0,0,1,0,0|2,0,1]=4 60 B7R1.1 CCC1CCCN1 DY738230 [0,0,0,1,0,0|2,0,0]=3 61 B7R1.1 CCC1CCNC1 DY585732 [0,0,0,1,0,0|1,0,1]=3 62 B7R1.1 CNC1CCCC1 DY757231 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.1 CNC1CCOC1 DY579885 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,0,0,1,0,0|1,0,2]=4 65 B7R1.1 COC1CCCC1 DY459258 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.1 COC1CCNC1 NO22350 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.1 N#C[C@H]1CCNC1 DY508184 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.1 NCC1CCCC1 NO14873 [0,0,0,1,0,0|1,0,1]=3 73 B7R1.1 NCC1CCCN1 NO15469 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,0,0,1,0,0|2,0,1]=4 75 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,0,0,1,0,0|1,0,2]=4 76 B7R1.1 NNC1CCCC1 DY543699 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.1 O=CC1=CCCC1 NO12865 [0,0,0,1,0,0|0,0,2]=3 78 B7R1.1 O=CC1CCCC1 DY21048 [0,0,0,1,0,0|0,0,0]=1 79 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.1 OCC1CCCC1 NO11185 [0,0,0,1,0,0|0,0,2]=3 81 B7R1.1 OCC1CCCN1 DY556821 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.1 OCC1CCCN1 DY668415 [0,0,0,1,0,0|1,0,2]=4 83 B7R1.1 OCC1CCCO1 DY20392 [0,0,0,1,0,0|1,0,2]=4 84 B7R1.1 OCC1CCNC1 NO11284 [0,0,0,1,0,0|1,0,2]=4 85 B7R1.1 OCC1CCNC1 NO16764 [0,0,0,1,0,0|1,0,2]=4 86 B7R1.1 OCC1CCNC1 NO18341 [0,0,0,1,0,0|1,0,2]=4 87 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.8 CN1CCC1CN DY104666 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.8 NCC1CCC1F DY528009 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.29 COC1(CN)CC1 DY527313 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.29 N#CC1(C=O)CC1 DY585255 [0,0,0,1,0,0|1,0,1]=3 95 B7R1.29 N#CC1(CN)CC1 DY428191 [0,0,0,1,0,0|2,0,1]=4 96 B7R1.29 NCC1(CBr)CC1 DY513267 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.29 OCC1(CO)CC1 DY20742 [0,0,0,1,0,0|1,0,2]=4 98 B4R0.1 CC(=O)CBr DY20986 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.1 CC(=O)CN NO10921 [2,0,0,0,0,0|1,0,1]=4 100 B4R0.1 CC(=O)CO NO11467 [2,0,0,0,0,0|1,0,1]=4 101 B4R0.1 CC(C)CO DY740701 [2,0,0,0,0,0|0,0,2]=4 102 B4R0.1 CC(C)NN NO11525 [2,0,0,0,0,0|2,0,0]=4 103 B4R0.1 CC(C)ON NO13668 [2,0,0,0,0,0|2,0,0]=4 104 B4R0.1 CC(Cl)CCl DY822285 [2,0,0,0,0,0|2,0,0]=4 105 B4R0.1 CC(N)CO NO21310 [2,0,0,0,0,0|2,0,0]=4 106 B4R0.1 CC(O)CCl DY586846 [2,0,0,0,0,0|1,0,1]=4 107 B4R0.1 CCC(C)I DY740911 [2,0,0,0,0,0|1,0,0]=3 108 B4R0.1 CCC(N)=O NO11886 [2,0,0,0,0,0|1,0,1]=4 109 B4R0.1 C[C@@H](Cl)CO NO20251 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 C[C@@H](N)CN DY10147 [2,0,0,0,0,0|2,0,0]=4 111 B4R0.1 C[C@@H](N)CO NO14182 [2,0,0,0,0,0|2,0,0]=4 112 B4R0.1 C[C@@H](O)CCl DY20696 [2,0,0,0,0,0|1,0,1]=4 113 B4R0.1 C[C@@H](O)CO DY20330 [2,0,0,0,0,0|1,0,1]=4 114 B4R0.1 C[C@H](N)CN NO20323 [2,0,0,0,0,0|2,0,0]=4 115 B4R0.1 C[C@H](N)CO DY624919 [2,0,0,0,0,0|2,0,0]=4 116 B4R0.1 C[C@H](N)CO NO19476 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.1 C[C@H](O)CCl DY20697 [2,0,0,0,0,0|1,0,1]=4 118 B4R0.1 C[C@H](O)CN NO14075 [2,0,0,0,0,0|1,0,1]=4 119 B4R0.2 BrCCCBr DY459264 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.2 C=CCCN DY740341 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.2 CCCCBr DY460620 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.2 CCNCC NO11240 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.2 CNCCBr DY584482 [2,0,0,0,0,0|2,0,0]=4 124 B4R0.2 CNCCO NO20910 [2,0,0,0,0,0|2,0,0]=4 125 B4R0.2 COCC=O DY740317 [2,0,0,0,0,0|1,0,0]=3 126 B4R0.2 COCCBr DY578823 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.2 COCCN DY822486 [2,0,0,0,0,0|2,0,0]=4 128 B4R0.2 COCCO DY457570 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.2 CSCSC DY528795 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.2 FCCCF DY822298 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.2 ICCCI DY564171 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.2 NCCCBr NO22190 [2,0,0,0,0,0|2,0,0]=4 133 B4R0.2 OCCCF DY822290 [2,0,0,0,0,0|2,0,0]=4 134 B4R0.2 SCCCS DY740347 [2,0,0,0,0,0|2,0,0]=4 135 B4R0.2 [Li]CCCC DY790335 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.1 C=CC(O)CCN DY787899 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.1 CC(CN)CCN DY791871 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.1 CCCC(C)CBr DY112368 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.1 CCCC(O)CO NO20495 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.1 CCNC(=O)CN DY461322 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.1 CCOC(=O)CC DY460554 [1,1,0,0,0,0|0,0,1]=3 142 B6R0.1 CCOC(=O)CN DY700831 [1,1,0,0,0,0|1,0,1]=4 143 B6R0.1 CCOC(=O)CN NO15347 [1,1,0,0,0,0|1,0,1]=4 144 B6R0.1 CCOC(=O)CO NO11386 [1,1,0,0,0,0|1,0,1]=4 145 B6R0.1 COC(=O)CCCl DY741043 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.1 COC(=O)CCN NO22266 [1,1,0,0,0,0|1,0,1]=4 147 B6R0.1 COC(=O)CSC DY460536 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.1 NCCC(O)CO DY608108 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.1 OC(CBr)CCBr DY740743 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.3 C=CC(C)C(=O)O DY559155 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.3 CC(=O)C(C)C=O DY459582 [1,1,0,0,0,0|0,0,1]=3 152 B6R0.3 CC(C)C(=O)CCl DY740659 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.3 CC(C)[C@@H](N)CO NO22659 [1,1,0,0,0,0|2,0,0]=4 154 B6R0.3 CC(C)[C@H](N)CO NO17224 [1,1,0,0,0,0|2,0,0]=4 155 B6R0.3 CCC(=O)C(=O)O NO21626 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.3 CCC(N)C(=O)O NO14084 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.3 CCC(O)C(=O)O DY562593 [1,1,0,0,0,0|1,0,0]=3 158 B6R0.3 CCC(O)C(=O)[O-] DY557445 [1,1,0,0,0,0|1,0,0]=3 159 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [1,1,0,0,0,0|1,0,0]=3 160 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [1,1,0,0,0,0|1,0,0]=3 161 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.3 CC[C@H](N)C(=O)O NO13661 [1,1,0,0,0,0|1,0,0]=3 163 B6R0.3 CC[C@H](N)C(N)=O DY436006 [1,1,0,0,0,0|1,0,0]=3 164 B6R0.3 CC[C@H](N)C(N)=O NO15891 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.3 CNC(=O)[C@@H](C)N DY608176 [1,1,0,0,0,0|1,0,1]=4 166 B6R0.3 CNC(=O)[C@H](C)N DY436151 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [1,1,0,0,0,0|1,0,0]=3 168 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [1,1,0,0,0,0|1,0,0]=3 169 B6R0.3 COC(=O)C(C)Br NO14958 [1,1,0,0,0,0|1,0,1]=4 170 B6R0.3 COC(=O)C(C)C DY41931 [1,1,0,0,0,0|1,0,1]=4 171 B6R0.3 COC(=O)C(C)N NO22242 [1,1,0,0,0,0|1,0,1]=4 172 B6R0.3 COC(=O)[C@@H](C)N NO16663 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.3 COC(=O)[C@H](C)Cl NO15798 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.3 COC(=O)[C@H](C)N DY500966 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.3 COC(C)C(=O)O NO14024 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.3 CON(C)C(C)=O NO11789 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [1,1,0,0,0,0|1,0,0]=3 178 B6R0.3 NC(=O)C(N)CO DY544785 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [1,1,0,0,0,0|2,0,0]=4 180 B6R0.3 NC(=O)[C@H](N)CO DY504027 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.3 NC(CO)C(=O)O NO18949 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.3 NC(CS)C(=O)O NO19655 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.3 NCC(N)C(=O)O DY702709 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.3 NCC(N)C(=O)O DY703093 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.3 NCC(N)C(=O)O NO19624 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [1,1,0,0,0,0|2,0,0]=4 188 B6R0.3 NC[C@H](N)C(=O)O NO14756 [1,1,0,0,0,0|2,0,0]=4 189 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [1,1,0,0,0,0|2,0,0]=4 190 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 N[C@H](CO)C(=O)O NO14731 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 N[C@H](CS)C(=O)O DY439001 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.3 N[C@H](CS)C(=O)O NO19417 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.3 O=C(O)C(Br)CBr NO15215 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.3 O=C(O)C(Br)CF DY741307 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.3 O=C(O)C(O)CCl DY10790 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.3 O=C(O)[C@H](O)CS DY740539 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.8 C=CC(C)(N)CO DY500685 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.8 CC(C)(C=O)CO DY21089 [1,1,0,0,0,0|1,0,0]=3 203 B6R0.8 CCC(C)(N)C#N NO17000 [1,1,0,0,0,0|1,0,1]=4 204 B6R0.8 CC[Sn](Cl)(Cl)CC DY575727 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [0,2,0,0,0,0|1,0,0]=3 206 B8R0.16 CCC(CC)CB(O)O DY706123 [0,2,0,0,0,0|0,0,2]=4 207 B8R0.20 C=CC(=O)N(CC)CC DY461154 [0,2,0,0,0,0|1,0,0]=3 208 B8R0.20 CCN(CC)C(=O)CCl DY21099 [0,2,0,0,0,0|1,0,0]=3 209 B8R0.20 CCN(CC)C(=O)CO DY552687 [0,2,0,0,0,0|1,0,0]=3 210 B8R0.20 CN[C@@H](CO)C(=O)OC DY435501 [0,2,0,0,0,0|2,0,0]=4 211 B8R0.22 C#CC(OCC)OCC NO11884 [0,2,0,0,0,0|1,0,1]=4 212 B8R0.22 CCOC(C#N)OCC DY563397 [0,2,0,0,0,0|1,0,1]=4 213 B8R0.22 CCOC(CBr)OCC DY20525 [0,2,0,0,0,0|1,0,1]=4 214 B8R0.22 CCOC(CO)OCC NO19208 [0,2,0,0,0,0|0,0,2]=4 215 B8R0.31 CCC(O)(CC)CCO DY572211 [0,2,0,0,0,0|0,0,2]=4 216 B8R0.18 CC(C)[C@H](CN)C(=O)O DY539799 [0,2,0,0,0,0|1,0,0]=3 217 B8R0.26 CCN(CC)S(N)(=O)=O DY556359 [0,2,0,0,0,0|2,0,0]=4 218 B8R0.36 CC(CO)(CO)C(=O)O NO20965 [0,2,0,0,0,0|2,0,0]=4 219 B8R0.36 CCC(C)(CC)C(=O)O DY105694 [0,2,0,0,0,0|0,0,0]=2 220 B8R0.36 COC(C)(OC)C(C)=O NO21903 [0,2,0,0,0,0|2,0,0]=4 221 B6R1.2 BrC1CCNC1 NO15742 [1,0,0,1,0,0|2,0,0]=4 222 B6R1.2 C=C1CCSC1 DY523665 [1,0,0,1,0,0|1,0,1]=4 223 B6R1.2 CC1CCCN1 NO21699 [1,0,0,1,0,0|1,0,1]=4 224 B6R1.2 CC1CCCN1 NO21700 [1,0,0,1,0,0|1,0,1]=4 225 B6R1.2 CC1CCCO1 DY20580 [1,0,0,1,0,0|1,0,1]=4 226 B6R1.2 CC1CCNC1 DY667237 [1,0,0,1,0,0|1,0,1]=4 227 B6R1.2 C[C@@H]1CCCN1 NO18299 [1,0,0,1,0,0|1,0,1]=4 228 B6R1.2 C[C@H]1CCCN1 NO18800 [1,0,0,1,0,0|1,0,1]=4 229 B6R1.2 C[C@H]1CCCN1 NO19735 [1,0,0,1,0,0|1,0,1]=4 230 B6R1.2 FC1CCNC1 NO12894 [1,0,0,1,0,0|2,0,0]=4 231 B6R1.2 F[C@H]1CCNC1 NO14870 [1,0,0,1,0,0|2,0,0]=4 232 B6R1.2 NC1CCNC1 DY572169 [1,0,0,1,0,0|2,0,0]=4 233 B6R1.2 NC1CCOC1 NO12010 [1,0,0,1,0,0|2,0,0]=4 234 B6R1.2 NN1CCCC1 DY564555 [1,0,0,1,0,0|2,0,0]=4 235 B6R1.2 N[C@@H]1CCOC1 DY623409 [1,0,0,1,0,0|2,0,0]=4 236 B6R1.2 N[C@@H]1CCOC1 NO13003 [1,0,0,1,0,0|2,0,0]=4 237 B6R1.2 N[C@H]1CCNC1 DY508670 [1,0,0,1,0,0|2,0,0]=4 238 B6R1.2 N[C@H]1CCOC1 DY626689 [1,0,0,1,0,0|2,0,0]=4 239 B6R1.2 N[C@H]1CCOC1 NO20366 [1,0,0,1,0,0|2,0,0]=4 240 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,1,0,0|0,0,1]=3 241 B6R1.2 O=C1CCNC1 NO22412 [1,0,0,1,0,0|1,0,1]=4 242 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,1,0,0|1,0,1]=4 243 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,1,0,0|1,0,1]=4 244 B6R1.2 O[C@@H]1CCNC1 NO16635 [1,0,0,1,0,0|1,0,1]=4 245 B6R1.2 O[C@@H]1CCNC1 NO16650 [1,0,0,1,0,0|1,0,1]=4 246 B6R1.2 O[C@@H]1CCOC1 NO20284 [1,0,0,1,0,0|1,0,1]=4 247 B6R1.2 O[C@H]1CCNC1 NO21757 [1,0,0,1,0,0|1,0,1]=4 248 B6R1.2 SC1CCOC1 DY789441 [1,0,0,1,0,0|1,1,0]=4 249 B6R1.4 CC1OCC1N DY732961 [1,0,0,1,0,0|2,0,0]=4 250 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [1,0,0,1,0,0|1,0,1]=4 251 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [1,0,0,1,0,0|1,0,1]=4 252 B6R1.4 NN1CCC1=O DY585858 [1,0,0,1,0,0|2,0,0]=4 253 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [1,0,0,1,0,0|1,0,1]=4 254 B6R1.6 BrCC1CCC1 DY10470 [1,0,0,1,0,0|1,0,1]=4 255 B6R1.6 C=CC1CNC1 DY586611 [1,0,0,1,0,0|2,0,0]=4 256 B6R1.6 NCC1CCC1 DY554907 [1,0,0,1,0,0|1,0,1]=4 257 B6R1.6 NCC1CCC1 NO11178 [1,0,0,1,0,0|1,0,1]=4 258 B6R1.6 NCC1CCS1 DY585795 [1,0,0,1,0,0|1,1,0]=4 259 B6R1.6 NNC1CCC1 DY527943 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.6 OCC1CCO1 NO15009 [1,0,0,1,0,0|1,0,1]=4 261 B6R1.6 OC[C@@H]1CCN1 NO15230 [1,0,0,1,0,0|2,0,0]=4 262 B6R1.7 CCC1(N)CC1 DY586551 [1,0,0,1,0,0|1,0,0]=3 263 B6R1.7 NC1(CO)CC1 NO13349 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.7 NCC1(O)CC1 NO20441 [1,0,0,1,0,0|1,0,1]=4 265 B8R1.1 CCC1COC(=O)N1 DY607707 [0,1,0,1,0,0|1,0,0]=3 266 B8R1.1 CN1CC[C@H](CN)C1 DY104144 [0,1,0,1,0,0|1,0,1]=4 267 B8R1.1 CO[C@@H]1C=C[C@@H](O)C1 DY585333 [0,1,0,1,0,0|2,0,0]=4 268 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [0,1,0,1,0,0|1,0,1]=4 269 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,1,0,1,0,0|2,0,0]=4 272 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,1,0,1,0,0|1,0,0]=3 274 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,1,0,1,0,0|1,0,0]=3 275 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,1,0,1,0,0|2,0,0]=4 276 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,1,0,1,0,0|2,0,0]=4 277 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.2 BrCC1CCCCC1 NO19887 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.2 BrCC1CCNCC1 DY586644 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.2 BrCC1CCOCC1 DY514587 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.2 Br[Zn]C1CCCCC1 DY121343 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.2 C#CC1CCCOC1 DY104582 [0,1,0,1,0,0|1,0,1]=4 283 B8R1.2 CCC1CCNCC1 DY602027 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.2 CCC1CNCCO1 DY731791 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.2 CC[C@@H]1CCCCN1 DY622095 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.2 CC[C@@H]1CNCCO1 DY444035 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.2 CC[C@@H]1COCCN1 DY20812 [0,1,0,1,0,0|0,0,2]=4 288 B8R1.2 CC[C@H]1CCCCN1 DY624979 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.2 CNC1CCC=CO1 DY795717 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.2 CNC1CCNCC1 DY512505 [0,1,0,1,0,0|2,0,0]=4 291 B8R1.2 CNC1CCNCC1 DY641666 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.2 CNC1CCOCC1 NO15192 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.2 COC1CCC=CO1 DY822724 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.2 ClCC1CCCCC1 DY788085 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.2 ClCC1CCCOC1 DY585697 [0,1,0,1,0,0|1,0,1]=4 296 B8R1.2 FC[C@@H]1CCCCN1 DY586647 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.2 ICC1CCCCN1 DY635594 [0,1,0,1,0,0|1,0,1]=4 298 B8R1.2 N#CC1CCOCC1 NO12562 [0,1,0,1,0,0|1,0,1]=4 299 B8R1.2 NCC1CCCCC1 DY20908 [0,1,0,1,0,0|1,0,1]=4 300 B8R1.2 NCC1CCCNC1 DY568713 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.2 NCC1CCCNC1 DY641787 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.2 NCC1CCCOC1 NO18439 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.2 NCC1CCOCC1 NO18584 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.2 NCC1CCSCC1 DY102976 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.2 NC[C@H]1CCCOC1 DY105501 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.2 NNC1CCCCC1 DY822741 [0,1,0,1,0,0|2,0,0]=4 307 B8R1.2 NNC1CCNCC1 DY638690 [0,1,0,1,0,0|2,0,0]=4 308 B8R1.2 NNC1CCOCC1 NO13041 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.2 NNC1CCOCC1 NO20368 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.2 NOC1CCCCO1 NO17026 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.2 O=CC1=CCCOC1 NO10171 [0,1,0,1,0,0|0,0,2]=4 312 B8R1.2 O=CC1CCCCC1 DY20143 [0,1,0,1,0,0|0,0,0]=2 313 B8R1.2 O=CC1CCCOC1 DY442323 [0,1,0,1,0,0|0,0,0]=2 314 B8R1.2 O=CC1CCCSC1 DY563535 [0,1,0,1,0,0|0,0,0]=2 315 B8R1.2 O=CN1CCNCC1 DY571431 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.2 O=CN1CCOCC1 NO11780 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.2 O=C[C@@H]1CCCOC1 DY585694 [0,1,0,1,0,0|0,0,0]=2 318 B8R1.2 O=C[C@H]1CCCOC1 DY585690 [0,1,0,1,0,0|0,0,0]=2 319 B8R1.2 OCC1CCC=CO1 DY20505 [0,1,0,1,0,0|2,0,0]=4 320 B8R1.2 OCC1CCCCC1 DY20144 [0,1,0,1,0,0|0,0,2]=4 321 B8R1.2 OCC1CCCCN1 NO21780 [0,1,0,1,0,0|0,0,2]=4 322 B8R1.2 OCC1CCCNC1 NO22817 [0,1,0,1,0,0|0,0,2]=4 323 B8R1.2 OCC1CCNCC1 NO22819 [0,1,0,1,0,0|0,0,2]=4 324 B8R1.2 OC[C@H]1CCCNC1 NO15958 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.8 CNCC1CCOC1 DY537651 [0,1,0,1,0,0|0,0,2]=4 326 B8R1.8 CNCC1CCOC1 DY568737 [0,1,0,1,0,0|0,0,2]=4 327 B8R1.8 COCC1CCCN1 DY571095 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.8 COC[C@@H]1CCCN1 NO20310 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.8 COC[C@H]1CCNC1 DY522807 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.8 CSCC1CCNC1 DY585729 [0,1,0,1,0,0|1,0,1]=4 331 B8R1.8 OCCC1CCNC1 DY666359 [0,1,0,1,0,0|1,0,1]=4 332 B8R1.11 C[C@@H]1NCC[C@@H]1CO DY664706 [0,1,0,1,0,0|0,0,2]=4 333 B8R1.11 N#CC1CCCC1=O NO20047 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.11 N#C[C@@H]1CCC[C@@H]1N DY104396 [0,1,0,1,0,0|1,0,1]=4 335 B8R1.82 CNCC1(CO)CC1 DY604261 [0,1,0,1,0,0|0,0,2]=4 336 B8R1.82 N#CC1(CCO)CC1 DY534495 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,1,0,1,0,0|0,0,0]=2 338 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,1,0,1,0,0|0,0,0]=2 339 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.7 CC(N)C1CCCO1 DY580113 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.7 CC(O)C1CCCC1 DY757207 [0,1,0,1,0,0|0,0,2]=4 344 B8R1.7 N=C(N)C1CCCC1 DY585765 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.7 N=C(N)N1CCCC1 DY717135 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.7 NC(=O)C1CC=CC1 NO11184 [0,1,0,1,0,0|0,0,2]=4 347 B8R1.7 NC(=O)C1CCCC1 DY794313 [0,1,0,1,0,0|0,0,0]=2 348 B8R1.7 NC(=O)C1CCNC1 DY555753 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.7 NC(=O)C1CCNC1 DY565263 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.7 NC(=O)N1CCCC1 DY717045 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.7 NC(=O)[C@@H]1CCCN1 NO22629 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.7 NC(=O)[C@H]1CCCN1 DY438122 [0,1,0,1,0,0|1,0,0]=3 353 B8R1.7 O=C(O)C1=NCCC1 DY584439 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.7 O=C(O)C1CCCN1 NO18287 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.7 O=C(O)C1CCSS1 DY566085 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.7 O=C(O)C1NCCS1 NO16514 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.7 O=C(O)[C@@H]1CSCN1 DY20446 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.7 O=C(O)[C@H]1CCCN1 NO22249 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,1,0,1,0,0|1,0,0]=3 366 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.7 O=C(O)[C@H]1CSCN1 NO15627 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.63 N#CC1(C(=O)O)CC1 DY41838 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.63 O=C(O)C1(CO)CC1 DY556719 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.67 C[C@@H]1C(C(=O)O)[C@@H]1C DY586274 [0,1,0,1,0,0|0,0,0]=2 371 B8R1.52 CC1(CN)CCCC1 DY585763 [0,1,0,1,0,0|1,0,1]=4 372 B8R1.52 CCC1(C)CCNC1 DY550311 [0,1,0,1,0,0|1,0,1]=4 373 B8R1.52 CCC1(C)CCNC1 DY585216 [0,1,0,1,0,0|1,0,1]=4 374 B8R1.52 CCC1(N)CCCC1 DY603592 [0,1,0,1,0,0|1,0,1]=4 375 B8R1.52 NCC1(F)CCCC1 DY584015 [0,1,0,1,0,0|1,0,1]=4 376 B8R1.52 NCC1(O)CCCC1 NO15390 [0,1,0,1,0,0|1,0,1]=4 377 B8R2.34 C1=CC2CC1CN2 DY566295 [0,0,0,2,0,0|2,0,0]=4 378 B8R2.34 C1=CC2CCC1C2 NO11805 [0,0,0,2,0,0|1,0,0]=3 379 B8R2.34 C1CC2CCC1C2 DY753433 [0,0,0,2,0,0|1,0,1]=4 380 B8R2.34 C1CC2CCC1N2 NO10780 [0,0,0,2,0,0|2,0,0]=4 381 B8R2.34 C1C[C@H]2CC1CN2 DY620286 [0,0,0,2,0,0|1,0,1]=4 382 B8R2.55 C1CC2(CC2)CN1 DY534537 [0,0,0,2,0,0|1,0,1]=4