0 B5R0.3 CCC(N)CO AC-76788 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.3 NCC(O)CO AC-15144 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 NC[C@@H](O)CO AC-12808 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 NC[C@H](O)CO AC-74173 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 OC[C@@H](O)CCl AC-11570 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 CC(=O)NN AC-24092 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(=O)NO AC-13161 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 CCC(O)O AC-11575 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CCC(O)O AC-11576 [1,0,0,0,0,0|1,0,1]=3 9 B4R0.1 C[C@H](N)CN AC-75237 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.1 C[C@H](N)CO AC-14576 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 NC(=O)CBr AC-13350 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 NCC(N)=O AC-16143 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 NCC(N)=O AC-65789 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 O=C(O)CO AC-77042 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 CNCC#N AC-61557 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CSCCN AC-56055 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.3 CCC(C)B(O)O AC-75313 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.3 CCC(N)C(=O)O AC-12704 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.3 CCC(N)C(=O)O AC-22541 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.3 CCC(N)C(N)=O AC-12931 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.3 NC(CS)C(=O)O AC-27295 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 NC[C@H](O)C(=O)O AC-15048 [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 O=C(O)C(=O)CBr AC-66963 [0,1,0,0,0,0|2,0,1]=4 27 B6R1.2 BrC1=CCCC1 AC-37861 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.2 BrC1CCNC1 AC-83481 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.2 CC1=NCCC1 AC-76756 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.2 CC1CC=NN1 AC-87752 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.2 CC1CCCN1 AC-44592 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 CC1CCNC1 AC-41388 [0,0,0,1,0,0|1,0,1]=3 33 B6R1.2 C[C@@H]1CCCN1 AC-64584 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.2 C[C@@H]1CCCN1 AC-75579 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.2 C[C@H]1CCCN1 AC-64583 [0,0,0,1,0,0|2,0,0]=3 36 B6R1.2 FC1CCNC1 AC-80571 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 F[C@H]1CCNC1 AC-23662 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 IC1CCOC1 AC-43302 [0,0,0,1,0,0|1,0,2]=4 39 B6R1.2 NC1CCOC1 AC-32068 [0,0,0,1,0,0|1,0,2]=4 40 B6R1.2 NC1CCOC1 AC-77272 [0,0,0,1,0,0|1,0,2]=4 41 B6R1.2 N[C@H]1CCNC1 AC-11448 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 N[C@H]1CCOC1 AC-39277 [0,0,0,1,0,0|1,0,2]=4 43 B6R1.2 OC1CCOC1 AC-17899 [0,0,0,1,0,0|1,0,2]=4 44 B6R1.2 O[C@@H]1CCNC1 AC-10540 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.2 O[C@@H]1CCNC1 AC-75583 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.2 O[C@H]1CCNC1 AC-10541 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.2 O[C@H]1CCOC1 AC-65385 [0,0,0,1,0,0|1,0,2]=4 48 B6R1.6 COC1CNC1 AC-70583 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.6 NCC1CCN1 AC-59672 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.6 NCC1COC1 AC-40088 [0,0,0,1,0,0|1,0,2]=4 51 B6R1.6 NNC1COC1 AC-87054 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.6 O=CC1COC1 AC-87999 [0,0,0,1,0,0|1,0,0]=2 53 B6R1.6 OCC1CCO1 AC-27493 [0,0,0,1,0,0|1,0,2]=4 54 B6R1.6 OCC1CNC1 AC-39034 [0,0,0,1,0,0|1,0,2]=4 55 B6R1.7 C#CC1(N)CC1 AC-88642 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.7 NCC1(N)CC1 AC-92348 [0,0,0,1,0,0|2,0,1]=4 57 B6R1.7 OCC1(F)CC1 AC-93892 [0,0,0,1,0,0|1,0,2]=4 58 B5R0.1 C[C@@H](N)CCO AC-68296 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.4 CC(C)(N)C#N AC-76966 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.4 CCS(N)(=O)=O AC-76829 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.4 CNS(C)(=O)=O AC-60010 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.5 CC(C)B(O)O AC-75312 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.5 CC(S)C(=O)O AC-65008 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.5 C[C@@H](N)C(N)=O AC-77271 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.5 C[C@H](N)C(=O)O AC-77155 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.5 C[C@H](N)C(N)=O AC-11061 [1,1,0,0,0,0|1,0,0]=3 67 B5R0.5 O=C(O)C(F)F AC-18400 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.2 CNCCC#N AC-77234 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.2 NCCCCBr AC-81002 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.2 NCC(O)CC(=O)O AC-58569 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.2 NC[C@H](O)CC(=O)O AC-19148 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.5 C#CC[C@@H](N)C(=O)O AC-63825 [0,2,0,0,0,0|1,0,1]=4 73 B7R0.5 C=CC[C@H](N)C(=O)O AC-16624 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.5 COC[C@@H](N)C(=O)O AC-72094 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.5 NC(CCO)C(=O)O AC-65691 [0,2,0,0,0,0|1,0,0]=3 77 B7R0.5 NCCC(N)C(=O)O AC-27327 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.5 NCC[C@H](O)C(=O)O AC-10736 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.5 N[C@H](CCO)C(=O)O AC-65692 [0,2,0,0,0,0|1,0,0]=3 80 B7R0.10 CCC(Br)C(=O)OC AC-76789 [0,2,0,0,0,0|1,0,0]=3 81 B7R0.10 CCC(C)C(N)CO AC-57968 [0,2,0,0,0,0|0,0,2]=4 82 B7R0.10 COC(=O)C(N)CO AC-16201 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.10 COC(=O)[C@@H](N)CN AC-60857 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.10 COC(=O)[C@@H](N)CS AC-17049 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.10 COC(=O)[C@H](N)CO AC-21878 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.10 CON(C)C(=O)CCl AC-35202 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.13 CC(C)(CCl)C(=O)Cl AC-17331 [0,2,0,0,0,0|1,0,0]=3 88 B7R0.13 CC(C)C(C)(N)C#N AC-76946 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.14 CCN(C)S(=O)(=O)Cl AC-56078 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.16 CC(C)[C@@H](N)C(N)=O AC-61031 [0,2,0,0,0,0|1,0,0]=3 91 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O AC-11380 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.18 CCC(N)(CO)CO AC-22646 [0,2,0,0,0,0|0,0,2]=4 93 B5R1.2 BrC1CNC1 AC-70718 [1,0,0,1,0,0|2,0,0]=4 94 B5R1.2 CC1CNC1 AC-70645 [1,0,0,1,0,0|1,0,1]=4 95 B5R1.2 ClC1CNC1 AC-70638 [1,0,0,1,0,0|2,0,0]=4 96 B5R1.2 FC1CNC1 AC-39080 [1,0,0,1,0,0|2,0,0]=4 97 B5R1.2 NC1CCC1 AC-60987 [1,0,0,1,0,0|1,0,0]=3 98 B5R1.2 NC1CNC1 AC-39028 [1,0,0,1,0,0|2,0,0]=4 99 B5R1.2 NC1CNC1 AC-70603 [1,0,0,1,0,0|2,0,0]=4 100 B5R1.2 O=C1CSC1 AC-80488 [1,0,0,1,0,0|1,0,1]=4 101 B5R1.3 BrCC1CC1 AC-14412 [1,0,0,1,0,0|1,0,1]=4 102 B5R1.3 CNC1CC1 AC-37971 [1,0,0,1,0,0|1,0,1]=4 103 B5R1.3 ClCC1CC1 AC-37554 [1,0,0,1,0,0|1,0,1]=4 104 B5R1.3 N#CC1CC1 AC-10485 [1,0,0,1,0,0|1,0,1]=4 105 B5R1.3 NNC1CC1 AC-75900 [1,0,0,1,0,0|2,0,0]=4 106 B5R1.3 NNC1CC1 AC-75901 [1,0,0,1,0,0|2,0,0]=4 107 B5R1.3 NNC1CC1 AC-89330 [1,0,0,1,0,0|2,0,0]=4 108 B5R1.1 C1=CCNC1 AC-93805 [1,0,0,1,0,0|2,0,0]=4 109 B5R1.1 C1=COCC1 AC-74091 [1,0,0,1,0,0|0,0,2]=4 110 B7R1.1 CNC1CCOC1 AC-87875 [0,1,0,1,0,0|0,0,2]=4 111 B7R1.1 CN[C@H]1CCNC1 AC-64587 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.1 CO[C@@H]1CCNC1 AC-80487 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.1 CO[C@H]1CCNC1 AC-80708 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.1 N#CC1CCOC1 AC-44958 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.1 NCC1CCCC1 AC-27260 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.1 NCC1CCCC1 AC-37884 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.1 NCC1CCNC1 AC-63684 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.1 NNC1CCCC1 AC-27275 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.1 NNC1CCCC1 AC-75898 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.1 NNC1CCNC1 AC-75769 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.1 NNC1CCOC1 AC-92184 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.1 NNC1CCOC1 AC-95290 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.1 O=CC1=CCCC1 AC-80756 [0,1,0,1,0,0|0,0,1]=3 124 B7R1.1 O=CC1CCCO1 AC-31412 [0,1,0,1,0,0|0,0,0]=2 125 B7R1.1 OCC1CCCN1 AC-57969 [0,1,0,1,0,0|0,0,2]=4 126 B7R1.1 OCC1CCNC1 AC-42224 [0,1,0,1,0,0|0,0,2]=4 127 B7R1.1 OC[C@@H]1CCCN1 AC-11523 [0,1,0,1,0,0|0,0,2]=4 128 B7R1.1 OC[C@H]1CCCN1 AC-11286 [0,1,0,1,0,0|0,0,2]=4 129 B7R1.2 CC1=CC(=O)CO1 AC-85907 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.2 CN1CCC(=O)C1 AC-31742 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.2 NC1=CC(=O)CC1 AC-76594 [0,1,0,1,0,0|1,0,1]=4 133 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.2 NC1CNC(=O)C1 AC-91662 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.2 NC1CNC(=O)C1 AC-92213 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.2 O=C1C=C(O)CC1 AC-53397 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.2 O=C1OCC(F)O1 AC-66136 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.3 CC1CNCCN1 AC-31498 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.3 CC1CNCCO1 AC-39793 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.3 C[C@@H]1CCCCN1 AC-72494 [0,1,0,1,0,0|1,0,1]=4 144 B7R1.3 C[C@H]1CNCCN1 AC-10557 [0,1,0,1,0,0|1,0,1]=4 145 B7R1.3 C[C@H]1CNCCO1 AC-79261 [0,1,0,1,0,0|1,0,1]=4 146 B7R1.3 C[C@H]1COCCN1 AC-39938 [0,1,0,1,0,0|0,0,2]=4 147 B7R1.4 CC1CCNC1=O AC-80276 [0,1,0,1,0,0|0,0,0]=2 148 B7R1.4 CC1OCCC1=O AC-16100 [0,1,0,1,0,0|0,0,0]=2 149 B7R1.4 CN1CCNC1=S AC-22042 [0,1,0,1,0,0|1,1,0]=4 150 B7R1.4 NC1CCNC1=O AC-56337 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.4 NC1CCNC1=O AC-84054 [0,1,0,1,0,0|1,0,0]=3 152 B7R1.4 NC1CONC1=O AC-79375 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.4 N[C@@H]1CCNC1=O AC-41460 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.4 N[C@H]1CCOC1=O AC-59650 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.4 N[C@H]1CCSC1=O AC-80263 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.4 O=C1CCC=C1O AC-79761 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.4 O=C1CCNC1=O AC-91977 [0,1,0,1,0,0|1,0,1]=4 158 B7R1.4 O=C1NCCC1Br AC-76660 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.4 O=C1NCC[C@@H]1O AC-67994 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.4 O=C1NCC[C@H]1O AC-75580 [0,1,0,1,0,0|1,0,0]=3 161 B7R1.6 CCOC1CNC1 AC-89124 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.6 CNCC1CNC1 AC-91756 [0,1,0,1,0,0|1,0,1]=4 163 B7R1.6 NCCC1CCC1 AC-87674 [0,1,0,1,0,0|1,0,1]=4 164 B7R1.6 OCCC1CCC1 AC-84374 [0,1,0,1,0,0|0,0,2]=4 165 B7R1.9 N#CC1CC1CO AC-94243 [0,1,0,1,0,0|1,0,1]=4 166 B7R1.10 N#CC1CC(=O)C1 AC-37976 [0,1,0,1,0,0|1,0,1]=4 167 B7R1.10 O=C1CC(CBr)C1 AC-82042 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.10 O=C1CC(CO)C1 AC-81896 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.10 OCC1CC(Cl)C1 AC-84181 [0,1,0,1,0,0|0,0,2]=4 170 B7R1.25 CC1(CBr)COC1 AC-70504 [0,1,0,1,0,0|1,0,1]=4 171 B7R1.25 CC1(CN)CCC1 AC-81364 [0,1,0,1,0,0|1,0,1]=4 172 B7R1.25 CC1(CO)COC1 AC-20171 [0,1,0,1,0,0|0,0,2]=4 173 B7R1.25 CCC1(O)CNC1 AC-39077 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.25 NC1(CO)CCC1 AC-94564 [0,1,0,1,0,0|0,0,2]=4 175 B7R1.25 NCC1(N)CCC1 AC-96587 [0,1,0,1,0,0|1,0,1]=4 176 B7R1.25 NCC1(O)CCC1 AC-81048 [0,1,0,1,0,0|1,0,1]=4 177 B7R1.12 CC1CC1C(N)=O AC-91394 [0,1,0,1,0,0|0,0,0]=2 178 B7R1.18 CC(O)C1CCC1 AC-80542 [0,1,0,1,0,0|0,0,2]=4 179 B7R1.18 N=C(N)C1CCC1 AC-71670 [0,1,0,1,0,0|1,0,0]=3 180 B7R1.18 NC(=O)C1CCC1 AC-71954 [0,1,0,1,0,0|0,0,0]=2 181 B7R1.18 NC(=O)C1CCN1 AC-59671 [0,1,0,1,0,0|1,0,0]=3 182 B7R1.18 O=C(O)C1CCC1 AC-11357 [0,1,0,1,0,0|0,0,0]=2 183 B7R1.18 O=C(O)C1CCO1 AC-40084 [0,1,0,1,0,0|1,0,0]=3 184 B7R1.18 O=C(O)C1CNC1 AC-16023 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.18 O=C(O)C1COC1 AC-40085 [0,1,0,1,0,0|1,0,0]=3 186 B7R1.18 O=C(O)[C@@H]1CCN1 AC-16024 [0,1,0,1,0,0|1,0,0]=3 187 B7R1.18 O=C(O)[C@H]1CCN1 AC-20594 [0,1,0,1,0,0|1,0,0]=3 188 B7R1.18 OB(O)C1CCC1 AC-79309 [0,1,0,1,0,0|1,0,1]=4 189 B7R1.19 CC1(C(=O)O)CC1 AC-37948 [0,1,0,1,0,0|0,0,0]=2 190 B7R1.19 NC(=O)C1(Br)CC1 AC-74006 [0,1,0,1,0,0|1,0,0]=3 191 B7R1.19 NC(=O)C1(N)CC1 AC-45564 [0,1,0,1,0,0|1,0,0]=3 192 B7R1.19 NC1(C(=O)O)CC1 AC-22604 [0,1,0,1,0,0|1,0,0]=3 193 B7R1.19 O=C(O)C1(O)CC1 AC-45126 [0,1,0,1,0,0|1,0,0]=3 194 B7R1.23 CC1(C)CC1C#N AC-15571 [0,1,0,1,0,0|1,0,1]=4 195 B7R1.14 CC1(C)CCCN1 AC-46446 [0,1,0,1,0,0|2,0,0]=4 196 B7R1.14 CC1(C)CCNC1 AC-91844 [0,1,0,1,0,0|1,0,1]=4 197 B7R1.14 CC1(O)CCCC1 AC-37946 [0,1,0,1,0,0|1,0,1]=4 198 B7R1.14 CC1(O)CCNC1 AC-89720 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.29 N#CC1(CO)CC1 AC-54460 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.29 OCC1(CF)CC1 AC-42211 [0,1,0,1,0,0|0,0,2]=4 201 B7R2.13 C1NCC2CC12 AC-70909 [0,0,0,2,0,0|1,0,1]=4 202 B7R2.3 BrC1CC12CC2 AC-84808 [0,0,0,2,0,0|1,0,1]=4 203 B7R2.3 NC1CC12CC2 AC-93996 [0,0,0,2,0,0|1,0,1]=4