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AIFCHEM-94522662424 [0,1,0,0,0,0|3,0,0]=4 43 B11R0.142 CCCCCNC(=O)C(O)CC AIFCHEM-94522663599 [0,1,0,0,0,0|2,0,0]=3 44 B11R0.142 CCCCCNC(=O)[C@@H](C)OC AIFCHEM-94522660778 [0,1,0,0,0,0|3,0,0]=4 45 B11R0.142 CCCCCNC(=O)[C@@H](O)CC AIFCHEM-94522661721 [0,1,0,0,0,0|2,0,0]=3 46 B11R0.142 CCCCCNC(=O)[C@H](C)OC AIFCHEM-94522660782 [0,1,0,0,0,0|3,0,0]=4 47 B11R0.142 CCCCCNC(=O)[C@H](O)CC AIFCHEM-94522660043 [0,1,0,0,0,0|2,0,0]=3 48 B11R0.142 CCOCCNC(=O)C(C)CC AIFCHEM-94548609811 [0,1,0,0,0,0|3,0,0]=4 49 B11R0.142 CCOCCNC(=O)C(O)CC AIFCHEM-94548616222 [0,1,0,0,0,0|3,0,0]=4 50 B11R0.142 CCOCCNC(=O)[C@@H](C)CC AIFCHEM-94548612000 [0,1,0,0,0,0|3,0,0]=4 51 B11R0.142 CCOCCNC(=O)[C@@H](O)CC AIFCHEM-94548614344 [0,1,0,0,0,0|3,0,0]=4 52 B11R0.142 CCOCCNC(=O)[C@H](C)CC AIFCHEM-94548614211 [0,1,0,0,0,0|3,0,0]=4 53 B11R0.142 CCOCCNC(=O)[C@H](O)CC AIFCHEM-94548612666 [0,1,0,0,0,0|3,0,0]=4 54 B11R0.142 CCSCCNC(=O)C(O)CC AIFCHEM-6012062429 [0,1,0,0,0,0|3,0,0]=4 55 B11R0.142 CCSCCNC(=O)[C@@H](O)CC AIFCHEM-94566125982 [0,1,0,0,0,0|3,0,0]=4 56 B11R0.142 CCSCCNC(=O)[C@H](O)CC AIFCHEM-94566124304 [0,1,0,0,0,0|3,0,0]=4 57 B11R0.142 CC[C@@H](C)C(=O)NCCCOC AIFCHEM-94598897318 [0,1,0,0,0,0|3,0,0]=4 58 B11R0.142 CC[C@H](C)C(=O)NCCCOC AIFCHEM-5592822700 [0,1,0,0,0,0|3,0,0]=4 59 B11R0.155 CCCCCN(C)C(=O)COC AIFCHEM-6113309004 [0,1,0,0,0,0|3,0,0]=4 60 B11R0.155 CCCNCC(C)C(=O)OCC AIFCHEM-94521368687 [0,1,0,0,0,0|1,0,0]=2 61 B11R0.174 CCOC(=O)CCNC(C)CO AIFCHEM-6056632063 [0,1,0,0,0,0|2,0,0]=3 62 B11R0.176 CCNC(=O)CNCCN(C)C AIFCHEM-94564768368 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.16 CCCN(C)C1CCCCC1 AIFCHEM-94569008239 [0,0,0,1,0,0|3,0,0]=4 64 B11R1.24 CCCCN1CCOC(C1)C AIFCHEM-94523039599 [0,0,0,1,0,0|2,0,1]=4 65 B11R1.24 CCCCN1CCO[C@@H](C1)C AIFCHEM-94583860502 [0,0,0,1,0,0|2,0,1]=4 66 B11R1.24 CCCCN1CCO[C@H](C1)C AIFCHEM-94579467693 [0,0,0,1,0,0|2,0,1]=4 67 B11R1.24 CCCNC1CCNC(=O)C1 AIFCHEM-94569013012 [0,0,0,1,0,0|2,0,0]=3 68 B11R1.30 COCC(=O)NC1CCCC1 AIFCHEM-94542386780 [0,0,0,1,0,0|3,0,0]=4 69 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CCCCOCCCNCC AIFCHEM-94537416494 [1,1,0,0,0,0|1,0,1]=4 98 B10R0.71 CCCNCCCOCCO AIFCHEM-94569024858 [1,1,0,0,0,0|1,0,1]=4 99 B10R0.71 CCNCCCCCCCO AIFCHEM-94537417528 [1,1,0,0,0,0|1,0,1]=4 100 B10R0.18 CCCNC(C)CC(=O)OC AIFCHEM-94569011981 [1,1,0,0,0,0|1,0,0]=3 101 B10R0.18 CCCN[C@@H](C)CC(=O)OC AIFCHEM-94569012180 [1,1,0,0,0,0|1,0,0]=3 102 B10R0.18 CCCN[C@H](C)CC(=O)OC AIFCHEM-94569008681 [1,1,0,0,0,0|1,0,0]=3 103 B10R0.55 CCC(=O)NCCCC(C)C AIFCHEM-94526500064 [1,1,0,0,0,0|1,0,0]=3 104 B10R0.59 CCC(=O)NCCC(=O)OC AIFCHEM-94526506245 [1,1,0,0,0,0|1,0,1]=4 105 B10R0.75 CCCCCNC(=O)C(C)O AIFCHEM-94571298865 [1,1,0,0,0,0|1,0,0]=3 106 B10R0.75 CCCCCNC(=O)[C@@H](C)O AIFCHEM-94522656682 [1,1,0,0,0,0|1,0,0]=3 107 B10R0.75 CCCCCNC(=O)[C@H](C)O AIFCHEM-94552832270 [1,1,0,0,0,0|1,0,0]=3 108 B12R0.2 CCCC[C@@H](C)NC(=O)CC(C)C AIFCHEM-94596961186 [0,2,0,0,0,0|2,0,0]=4 109 B12R0.2 CCCC[C@@H](C)NC(=O)CC(C)O AIFCHEM-94596959775 [0,2,0,0,0,0|2,0,0]=4 110 B12R0.2 CCCC[C@@H](C)NC(=O)C[C@@H](C)O AIFCHEM-94596962137 [0,2,0,0,0,0|2,0,0]=4 111 B12R0.2 CCCC[C@@H](C)NC(=O)C[C@H](C)O AIFCHEM-94596962076 [0,2,0,0,0,0|2,0,0]=4 112 B12R0.4 CCCCCCNC(=O)CC(F)F AIFCHEM-94575440623 [0,2,0,0,0,0|2,0,0]=4 113 B12R0.4 CCCCCNCC(=O)NC(C)C AIFCHEM-94530807721 [0,2,0,0,0,0|1,0,0]=3 114 B12R0.4 CCOCCCNC(=O)CC(C)C AIFCHEM-6220575715 [0,2,0,0,0,0|2,0,0]=4 115 B12R0.46 CC(C)N(C)C(=O)CCCCCO AIFCHEM-94547942805 [0,2,0,0,0,0|2,0,0]=4 116 B12R0.46 CCCCCNC(=O)C(C)C(C)C AIFCHEM-94522658563 [0,2,0,0,0,0|2,0,0]=4 117 B12R0.113 C#CC(C)NC(=O)CCCCCO AIFCHEM-5754978686 [0,2,0,0,0,0|2,0,0]=4 118 B12R0.270 CC(C)CCCCC(=O)NC(C)C AIFCHEM-94520552204 [0,2,0,0,0,0|1,0,0]=3 119 B12R0.270 CC(C)NC(=O)CCCCN(C)C AIFCHEM-94541844909 [0,2,0,0,0,0|2,0,0]=4 120 B12R0.272 CCOC(=O)CCC(=O)NC(C)C AIFCHEM-94520543337 [0,2,0,0,0,0|1,0,1]=4 121 B12R0.1 CCNC(=O)CNCCCCCO AIFCHEM-5793634755 [0,2,0,0,0,0|1,0,0]=3 122 B12R0.1 CCOC(=O)CCCCNCCF AIFCHEM-5853674262 [0,2,0,0,0,0|0,0,0]=2 123 B12R0.49 CCCCCNCC(=O)N(C)OC AIFCHEM-94551434676 [0,2,0,0,0,0|2,0,0]=4 124 B12R0.49 CCN(C)C(=O)CCCCCCO AIFCHEM-6119286754 [0,2,0,0,0,0|1,0,0]=3 125 B12R0.49 CCN(C)C(=O)CCCCCOC AIFCHEM-94534418367 [0,2,0,0,0,0|1,0,0]=3 126 B12R0.101 CCCCC(=O)NCC(=O)OCC AIFCHEM-94534109690 [0,2,0,0,0,0|0,0,1]=3 127 B12R0.101 CCOC(=O)CCC(C)NCCF AIFCHEM-5871167110 [0,2,0,0,0,0|1,0,0]=3 128 B12R0.101 CCOC(=O)CNC(=O)CCOC AIFCHEM-5593292951 [0,2,0,0,0,0|1,0,1]=4 129 B12R0.114 C#CCN(C)C(=O)CCCCCC AIFCHEM-94521987502 [0,2,0,0,0,0|1,0,1]=4 130 B12R0.114 CCCN(C)C(=O)CCCCCO AIFCHEM-5879078227 [0,2,0,0,0,0|2,0,0]=4 131 B12R0.114 CCNC(=O)[C@H](C)NCCCSC AIFCHEM-94546186272 [0,2,0,0,0,0|2,0,0]=4 132 B12R0.114 CCOCCNC(=O)C(C)OCC AIFCHEM-94548615704 [0,2,0,0,0,0|2,0,0]=4 133 B12R0.206 C#CCNC(=O)CCCCCCC AIFCHEM-94588314157 [0,2,0,0,0,0|1,0,1]=4 134 B12R0.206 CCCCCC#CC(=O)NCCF AIFCHEM-5802085638 [0,2,0,0,0,0|1,0,1]=4 135 B12R0.206 CCCCCCNC(=O)COCC AIFCHEM-94575445485 [0,2,0,0,0,0|0,0,0]=2 136 B12R0.206 CCOCCCNC(=O)CCSC AIFCHEM-6286317677 [0,2,0,0,0,0|2,0,0]=4 137 B12R0.276 CCOC(=O)CCCCN(C)CC AIFCHEM-94563257401 [0,2,0,0,0,0|0,0,0]=2 138 B12R0.276 CCOC(=O)CCCNC(=O)CO AIFCHEM-94532684934 [0,2,0,0,0,0|1,0,1]=4 139 B12R0.285 CCOC(=O)CCNC(=O)CSC AIFCHEM-6012165141 [0,2,0,0,0,0|1,0,1]=4 140 B12R0.69 CCCC(C)N[C@@H](C)C(=O)OCC AIFCHEM-94606108959 [0,2,0,0,0,0|1,0,0]=3 141 B12R0.69 CCCC(C)N[C@H](C)C(=O)OCC AIFCHEM-94606120570 [0,2,0,0,0,0|1,0,0]=3 142 B12R0.103 CCCC[C@@H](C)NC(=O)CCSC AIFCHEM-94596962290 [0,2,0,0,0,0|2,0,0]=4 143 B12R0.47 C#CCCNC(=O)CCCCCC AIFCHEM-94541763331 [0,2,0,0,0,0|1,0,0]=3 144 B12R0.47 CCCCCCC(=O)NCCC#N AIFCHEM-94521983655 [0,2,0,0,0,0|1,0,0]=3 145 B12R0.47 CCCCCNC(=O)C#CCCO AIFCHEM-94552830776 [0,2,0,0,0,0|2,0,0]=4 146 B12R0.47 CCCCNC(=O)COCCCC AIFCHEM-5693378803 [0,2,0,0,0,0|2,0,0]=4 147 B12R0.47 CCCOCC(=O)NCCCOC AIFCHEM-94598898935 [0,2,0,0,0,0|2,0,0]=4 148 B12R0.47 CCCOCC(=O)NCCCSC AIFCHEM-94529063776 [0,2,0,0,0,0|2,0,0]=4 149 B12R0.95 CCCNC(=O)CCCCC(C)C AIFCHEM-5791125063 [0,2,0,0,0,0|1,0,0]=3 150 B12R0.95 CCCNC(=O)CCCCN(C)C AIFCHEM-94541850413 [0,2,0,0,0,0|2,0,0]=4 151 B12R0.95 CCOCC(=O)NCCCC(C)C AIFCHEM-5701305724 [0,2,0,0,0,0|1,0,0]=3 152 B12R0.95 CCSCC(=O)NCCCC(C)C AIFCHEM-94580210374 [0,2,0,0,0,0|1,1,0]=4 153 B12R0.95 COCCC(=O)NCCCC(C)C AIFCHEM-5738429934 [0,2,0,0,0,0|2,0,0]=4 154 B12R0.255 CCCCCCC(=O)NCC(=O)C AIFCHEM-94521991303 [0,2,0,0,0,0|1,0,0]=3 155 B12R0.255 CCCCCCC(=O)NCC(C)C AIFCHEM-94521991352 [0,2,0,0,0,0|1,0,0]=3 156 B12R0.255 CCCCCNC(=O)CCC(=O)C AIFCHEM-94522657637 [0,2,0,0,0,0|2,0,0]=4 157 B12R0.255 CCCCCNC(=O)CCN(C)C AIFCHEM-94522658738 [0,2,0,0,0,0|2,0,0]=4 158 B12R0.648 C#CCNC(=O)C(C)CCCCC AIFCHEM-94588313805 [0,2,0,0,0,0|1,0,1]=4 159 B12R0.86 CCC(C)C(=O)NCCCC(C)C AIFCHEM-5746595577 [0,2,0,0,0,0|2,0,0]=4 160 B12R0.86 CC[C@@H](C)C(=O)NCCCC(C)C AIFCHEM-5738802165 [0,2,0,0,0,0|2,0,0]=4 161 B12R0.86 CC[C@H](C)C(=O)NCCCC(C)C AIFCHEM-5728556284 [0,2,0,0,0,0|2,0,0]=4 162 B12R0.110 CCCCCC(C)C(=O)N(C)CC AIFCHEM-94563262299 [0,2,0,0,0,0|1,0,0]=3 163 B12R0.110 CCCCCC(O)C(=O)N(C)CC AIFCHEM-6125949219 [0,2,0,0,0,0|1,0,0]=3 164 B12R0.156 CCC(=O)CCCC(=O)N(C)CC AIFCHEM-94552442739 [0,2,0,0,0,0|1,0,1]=4 165 B12R0.193 CCOC(=O)C(C)CNC(C)CF AIFCHEM-6106435710 [0,2,0,0,0,0|2,0,0]=4 166 B12R0.193 CCOC(=O)C(C)CN[C@@H](C)CF AIFCHEM-6081942938 [0,2,0,0,0,0|2,0,0]=4 167 B12R0.193 CCOC(=O)C(C)CN[C@H](C)CF AIFCHEM-6168885269 [0,2,0,0,0,0|2,0,0]=4 168 B12R0.363 CCCCNC(CC)C(=O)OCC AIFCHEM-94523039149 [0,2,0,0,0,0|1,0,0]=3 169 B12R0.363 CCCCN[C@@H](CC)C(=O)OCC AIFCHEM-94523043351 [0,2,0,0,0,0|1,0,0]=3 170 B12R0.203 CCCCCCC(NCC)C(=O)O AIFCHEM-94593381215 [0,2,0,0,0,0|1,0,1]=4 171 B12R0.203 CCCCCC[C@@H](NCC)C(=O)O AIFCHEM-94537411922 [0,2,0,0,0,0|1,0,1]=4 172 B12R0.203 CCCCCC[C@H](NCC)C(=O)O AIFCHEM-94537412669 [0,2,0,0,0,0|1,0,1]=4 173 B12R0.279 CCOC(=O)CCNC(C)C(C)C AIFCHEM-94522509997 [0,2,0,0,0,0|1,0,0]=3 174 B12R0.279 CCOC(=O)CCNC(C)C(C)O AIFCHEM-94547071804 [0,2,0,0,0,0|1,0,0]=3 175 B12R0.72 CCOC(=O)CNCCC(C)(C)C AIFCHEM-5616168537 [0,2,0,0,0,0|1,0,0]=3 176 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[0,1,0,1,0,0|2,0,0]=4 190 B12R1.144 CC(C)NC(=O)C1CCCN1C AIFCHEM-94583563182 [0,1,0,1,0,0|2,0,0]=4 191 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C AIFCHEM-94520549127 [0,1,0,1,0,0|2,0,0]=4 192 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1C AIFCHEM-94520544027 [0,1,0,1,0,0|2,0,0]=4 193 B12R1.1376 CC(C)NC(=O)CCN1CCC1 AIFCHEM-94520552512 [0,1,0,1,0,0|2,0,0]=4 194 B12R1.1377 CC(C)NC(=O)CNCC1CC1 AIFCHEM-94530808903 [0,1,0,1,0,0|2,0,0]=4 195 B12R1.28 CCCCNC1CCOC(C1)C AIFCHEM-94570970010 [0,1,0,1,0,0|1,0,1]=4 196 B12R1.28 O=C1CC(CCN1)NCCCO AIFCHEM-6439483137 [0,1,0,1,0,0|2,0,0]=4 197 B12R1.51 O=C(CCO)NCC1CCCC1 AIFCHEM-6158955683 [0,1,0,1,0,0|2,0,0]=4 198 B12R1.278 CCCN1CCCC(C1)OCC AIFCHEM-94569009675 [0,1,0,1,0,0|1,0,1]=4 199 B12R1.308 CC#CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890090581 [0,1,0,1,0,0|1,0,1]=4 200 B12R1.308 CC#CC(=O)N1CCCC[C@H]1C AIFCHEM-5721843155 [0,1,0,1,0,0|1,0,1]=4 201 B12R1.308 COCC(=O)N1CCCC[C@@H]1C AIFCHEM-5970672272 [0,1,0,1,0,0|2,0,0]=4 202 B12R1.308 COCC(=O)N1CCCC[C@H]1C AIFCHEM-5743637479 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AIFCHEM-94576044484 [0,1,0,1,0,0|1,0,0]=3 242 B12R1.556 CCOC(=O)C(C)NCC1CC1 AIFCHEM-5824227635 [0,1,0,1,0,0|1,0,0]=3 243 B12R1.556 CCOC(=O)[C@@H](C)NCC1CC1 AIFCHEM-6134833651 [0,1,0,1,0,0|1,0,0]=3 244 B12R1.556 CCOC(=O)[C@H](C)NCC1CC1 AIFCHEM-5870090117 [0,1,0,1,0,0|1,0,0]=3 245 B12R1.50 CCC(C)CN1CCNC(=O)C1 AIFCHEM-5604914562 [0,1,0,1,0,0|2,0,0]=4 246 B12R2.1286 O=C1CN(CCN1)CC2CC2 AIFCHEM-5651478528 [0,0,0,2,0,0|2,0,0]=4 247 B12R2.2313 O=C1CN(CCO1)C2CCC2 AIFCHEM-94576053973 [0,0,0,2,0,0|1,0,0]=3 248 B12R2.466 O=C1NCCC1NCC2CC2 AIFCHEM-5749515399 [0,0,0,2,0,0|2,0,0]=4 249 B12R2.466 O=C1NCC[C@H]1NCC2CC2 AIFCHEM-94577677906 [0,0,0,2,0,0|2,0,0]=4 250 B12R2.466 O=C1SCCC1NCC2CC2 AIFCHEM-6278457028 [0,0,0,2,0,0|1,1,0]=4 251 B12R2.466 O=C1SCC[C@H]1NCC2CC2 AIFCHEM-6254077794 [0,0,0,2,0,0|1,1,0]=4 252 B12R2.1114 O=C1OCCC1NC2COC2 AIFCHEM-5901396447 [0,0,0,2,0,0|2,0,0]=4 253 B12R2.1114 O=C1OCC[C@@H]1NC2COC2 AIFCHEM-6159955165 [0,0,0,2,0,0|2,0,0]=4 254 B12R2.1114 O=C1OCC[C@H]1NC2COC2 AIFCHEM-5688160909 [0,0,0,2,0,0|2,0,0]=4