0 B5R0.2 NCCCCN AC-4426 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 NCCCCO AC-034 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.2 CCSCC AC-18108 [1,0,0,0,0,0|2,0,0]=3 3 B4R0.2 CC[Zn]CC AC-1790 [1,0,0,0,0,0|2,0,0]=3 4 B4R0.2 CNCC#N AC-4442 [1,0,0,0,0,0|1,0,2]=4 5 B4R0.2 NCCCBr AC-150 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.2 NCCCCl AC-8352 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.1 C#CC[C@@H](O)CCl AC-18272 [0,1,0,0,0,0|2,0,1]=4 8 B6R0.1 C#CC[C@H](O)CCl AC-18271 [0,1,0,0,0,0|2,0,1]=4 9 B6R0.1 C(Cl)CC(=O)OC AC-16132 [0,1,0,0,0,0|1,1,1]=4 10 B6R0.1 CC(CO)CCN AC-31753 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.1 CCOC(=O)CN AC-24102 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 CNCC(O)CO AC-23234 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.1 COC(=O)CCN AC-22369 [0,1,0,0,0,0|0,1,1]=3 14 B6R0.1 COC[C@@H](N)CO AC-13526 [0,1,0,0,0,0|1,1,0]=3 15 B6R0.1 OCC[C@@H](O)CO AC-13918 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 OCC[C@H](O)CO AC-13895 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.4 CC(=O)NCCN AC-7474 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.4 CC(C)NCCCl AC-29461 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.4 CN(C)CCCBr AC-25139 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.4 CN(C)CCCBr AC-8952 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.4 CN(C)CCCCl AC-360 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.4 CN(C)CCCN AC-363 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.4 CN(C)CCCO AC-359 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.4 N=C(N)SCCN AC-15654 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.4 O=C(O)CCCBr AC-6279 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.6 ClCCNCCCl AC-22676 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.6 ICCOCCI AC-33902 [0,1,0,0,0,0|3,0,0]=4 28 B6R1.1 C1=CCOCC1 AC-33900 [0,0,0,1,0,0|1,1,1]=4 29 B6R1.1 C1CNCCN1 AC-18927 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.2 CC1CCCN1 AC-626 [0,0,0,1,0,0|1,0,0]=2 31 B6R1.2 C[C@@H]1CCCN1 AC-6782 [0,0,0,1,0,0|1,0,0]=2 32 B6R1.2 C[C@H]1CCCN1 AC-25577 [0,0,0,1,0,0|1,0,0]=2 33 B6R1.2 F[C@@H]1CCNC1 AC-25611 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.2 NC1=NCCC1 AC-23074 [0,0,0,1,0,0|2,0,1]=4 35 B6R1.2 NC1CC=CC1 AC-31017 [0,0,0,1,0,0|1,0,1]=3 36 B6R1.2 NC1CCNC1 AC-13298 [0,0,0,1,0,0|1,0,0]=2 37 B6R1.2 NC1CCNC1 AC-28106 [0,0,0,1,0,0|1,0,0]=2 38 B6R1.2 N[C@@H]1CCNC1 AC-13107 [0,0,0,1,0,0|1,0,0]=2 39 B6R1.2 N[C@@H]1CCNC1 AC-3508 [0,0,0,1,0,0|1,0,0]=2 40 B6R1.2 N[C@H]1CCNC1 AC-6713 [0,0,0,1,0,0|1,0,0]=2 41 B6R1.2 N[C@H]1CCOC1 AC-31360 [0,0,0,1,0,0|0,1,0]=2 42 B6R1.2 O=C1CCNC1 AC-22609 [0,0,0,1,0,0|2,0,1]=4 43 B6R1.2 OC1CCNC1 AC-2443 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.2 O[C@@H]1CCNC1 AC-13108 [0,0,0,1,0,0|2,0,0]=3 45 B6R1.2 O[C@@H]1CCNC1 AC-6381 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.2 O[C@@H]1CCOC1 AC-13894 [0,0,0,1,0,0|1,1,0]=3 47 B6R1.2 O[C@H]1CCNC1 AC-1127 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 O[C@H]1CCNC1 AC-27035 [0,0,0,1,0,0|2,0,0]=3 49 B6R1.2 O[C@H]1CCOC1 AC-1844 [0,0,0,1,0,0|1,1,0]=3 50 B6R1.2 O[C@H]1CCOC1 AC-491 [0,0,0,1,0,0|1,1,0]=3 51 B6R1.3 CNCC1CC1 AC-36909 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.3 CSCC1CO1 AC-9028 [0,0,0,1,0,0|1,0,0]=2 53 B6R1.3 N#CCC1CC1 AC-29613 [0,0,0,1,0,0|1,0,2]=4 54 B6R1.3 NCCC1CC1 AC-31186 [0,0,0,1,0,0|1,0,0]=2 55 B6R1.3 NCCN1CC1 AC-9518 [0,0,0,1,0,0|2,0,0]=3 56 B6R1.3 NOCC1CC1 AC-8536 [0,0,0,1,0,0|2,0,0]=3 57 B6R1.6 BrCC1CCC1 AC-19697 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.6 CNC1CCC1 AC-29607 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.6 COC1CNC1 AC-23386 [0,0,0,1,0,0|2,1,0]=4 60 B6R1.6 N#CC1CNC1 AC-9151 [0,0,0,1,0,0|1,0,2]=4 61 B6R1.6 OCC1CCC1 AC-25568 [0,0,0,1,0,0|2,0,0]=3 62 B6R1.6 OCC1CNC1 AC-7925 [0,0,0,1,0,0|2,0,0]=3 63 B3R0.1 CNOC AC-5594 [2,0,0,0,0,0|1,1,0]=4 64 B3R0.1 NCCCl AC-22675 [2,0,0,0,0,0|1,0,0]=3 65 B3R0.1 NCCN AC-18109 [2,0,0,0,0,0|1,0,0]=3 66 B3R0.1 NCCS AC-301 [2,0,0,0,0,0|0,0,0]=2 67 B5R0.1 CCCC(N)=[NH2+] AC-3370 [1,1,0,0,0,0|0,0,1]=3 68 B5R0.1 COCC(=N)N AC-29357 [1,1,0,0,0,0|0,1,1]=4 69 B5R0.1 COC[C@@H](C)N AC-28410 [1,1,0,0,0,0|0,1,0]=3 70 B5R0.1 C[C@@H](O)CCO AC-5640 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.1 O=C(O)CCS AC-4722 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.3 COC(=O)CN AC-19215 [1,1,0,0,0,0|0,1,1]=4 73 B5R0.3 NC(CO)CO AC-13723 [1,1,0,0,0,0|1,1,0]=4 74 B5R0.3 NCC(O)CN AC-3376 [1,1,0,0,0,0|1,0,0]=3 75 B5R0.3 NCC(O)CO AC-23129 [1,1,0,0,0,0|0,1,0]=3 76 B5R0.3 NC[C@@H](O)CO AC-7033 [1,1,0,0,0,0|0,1,0]=3 77 B5R0.3 NC[C@H](O)CCl AC-26415 [1,1,0,0,0,0|1,0,0]=3 78 B5R0.3 NC[C@H](O)CO AC-13922 [1,1,0,0,0,0|0,1,0]=3 79 B5R0.3 NC[C@H](O)CO AC-7162 [1,1,0,0,0,0|0,1,0]=3 80 B5R0.3 OC[C@@H](O)CCl AC-7038 [1,1,0,0,0,0|1,1,0]=4 81 B5R0.3 OC[C@H](O)CCl AC-7037 [1,1,0,0,0,0|1,1,0]=4 82 B7R0.2 CC(C)C[C@@H](N)CO AC-24086 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.2 CCC(C)CC(C)N AC-369 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.2 NC[C@@H](O)CC(=O)O AC-13943 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.2 NC[C@H](O)CC(=O)O AC-13944 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.2 [C@@H](N)(CO)CC(C)C AC-1342 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.3 COCO[C@@H](C)CO AC-6918 [0,2,0,0,0,0|1,1,0]=4 88 B7R0.3 COCO[C@H](C)CO AC-6917 [0,2,0,0,0,0|1,1,0]=4 89 B7R0.3 CSCC[C@H](N)CO AC-13954 [0,2,0,0,0,0|0,0,0]=2 90 B7R0.5 NCCC(N)C(=O)O AC-23758 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.5 NCCC(O)C(=O)O AC-2929 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.5 NCC[C@@H](N)C(=O)O AC-23757 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.5 NCC[C@@H](N)C(=O)O AC-5661 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.5 NCC[C@H](N)C(=O)O AC-5662 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.5 NCC[C@H](O)C(=O)O AC-1318 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.7 CCOC(=O)CCN AC-19163 [0,2,0,0,0,0|0,1,1]=4 97 B7R0.7 CSCC(O)CNN AC-9029 [0,2,0,0,0,0|0,0,0]=2 98 B7R0.10 CC[C@H](C)[C@H](N)CO AC-31983 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.10 CC[C@H](C)[C@H](N)CO AC-8563 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.4 NCCCCC(=O)O AC-6337 [0,2,0,0,0,0|1,0,1]=4 101 B7R0.1 CNCCCCNC AC-7475 [0,2,0,0,0,0|1,0,0]=3 102 B7R0.1 NCCCNCCBr AC-701 [0,2,0,0,0,0|1,0,0]=3 103 B5R1.1 C1=CCNC1 AC-22446 [1,0,0,1,0,0|0,0,2]=4 104 B5R1.1 C1CNNC1 AC-31755 [1,0,0,1,0,0|1,0,0]=3 105 B5R1.2 ClC1CCC1 AC-10054 [1,0,0,1,0,0|1,0,0]=3 106 B5R1.2 FC1CNC1 AC-25612 [1,0,0,1,0,0|2,0,0]=4 107 B5R1.2 NC1CNC1 AC-24374 [1,0,0,1,0,0|1,0,0]=3 108 B5R1.2 O=C1CSC1 AC-33700 [1,0,0,1,0,0|1,0,1]=4 109 B5R1.2 OC1CNC1 AC-092 [1,0,0,1,0,0|2,0,0]=4 110 B5R1.2 OC1CNC1 AC-868 [1,0,0,1,0,0|2,0,0]=4 111 B5R1.3 BrCC1CC1 AC-8355 [1,0,0,1,0,0|1,0,0]=3 112 B5R1.3 ClCC1CO1 AC-2089 [1,0,0,1,0,0|1,1,0]=4 113 B5R1.3 ClC[C@@H]1CO1 AC-7035 [1,0,0,1,0,0|1,1,0]=4 114 B5R1.3 ClC[C@H]1CO1 AC-7036 [1,0,0,1,0,0|1,1,0]=4 115 B5R1.3 NCC1CC1 AC-13087 [1,0,0,1,0,0|0,0,0]=2 116 B5R1.3 OC[C@@H]1CO1 AC-7042 [1,0,0,1,0,0|1,1,0]=4 117 B5R1.3 OC[C@H]1CO1 AC-7041 [1,0,0,1,0,0|1,1,0]=4 118 B7R1.1 COC1CCNC1 AC-7890 [0,1,0,1,0,0|0,1,0]=3 119 B7R1.1 CO[C@@H]1CCNC1 AC-29650 [0,1,0,1,0,0|0,1,0]=3 120 B7R1.1 CO[C@H]1CCNC1 AC-29649 [0,1,0,1,0,0|0,1,0]=3 121 B7R1.1 ClCC1=NCCN1 AC-7479 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.1 ClCC1CCCO1 AC-25685 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.1 N#C[C@@H]1CCCN1 AC-6532 [0,1,0,1,0,0|1,0,1]=4 124 B7R1.1 OCC1CCNC1 AC-26851 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.1 OC[C@@H]1CCCN1 AC-8565 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.1 OC[C@@H]1CCNC1 AC-22425 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.1 OC[C@H]1CCCN1 AC-23551 [0,1,0,1,0,0|1,0,0]=3 128 B7R1.1 OC[C@H]1CCNC1 AC-22424 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.2 CN1CCC(O)C1 AC-6615 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.2 CN1CC[C@@H](O)C1 AC-6781 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.2 CN1CC[C@H](O)C1 AC-7092 [0,1,0,1,0,0|2,0,0]=4 132 B7R1.2 NC1CCC(O)C1 AC-33552 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-30659 [0,1,0,1,0,0|1,0,0]=3 134 B7R1.2 N[C@H]1CC[C@@H](O)C1 AC-31322 [0,1,0,1,0,0|1,0,0]=3 135 B7R1.2 O=C1C[C@H](O)CN1 AC-3373 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.3 BrC1CCNCC1 AC-23243 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.3 CC1CNCCO1 AC-9514 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.3 CC1COCCN1 AC-9513 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.3 C[C@@H]1CNCCN1 AC-4396 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.3 C[C@@H]1CNCCO1 AC-26735 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.3 C[C@@H]1CNCCO1 AC-26736 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.3 C[C@@H]1COCCN1 AC-22431 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.3 C[C@H]1CCCCN1 AC-15354 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.3 C[C@H]1CCCNC1 AC-15332 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.3 C[C@H]1CNCCN1 AC-11883 [0,1,0,1,0,0|1,0,0]=3 146 B7R1.3 C[C@H]1CNCCN1 AC-6756 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.3 C[C@H]1COCCN1 AC-22432 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.3 NC1CCCNC1 AC-13109 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.3 NC1CCCNC1 AC-876 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.3 NC1CCOCC1 AC-1959 [0,1,0,1,0,0|0,1,0]=3 151 B7R1.3 NC1CCOCC1 AC-26798 [0,1,0,1,0,0|0,1,0]=3 152 B7R1.3 NC1CCSCC1 AC-30455 [0,1,0,1,0,0|0,0,0]=2 153 B7R1.3 NN1CCCCC1 AC-5741 [0,1,0,1,0,0|1,0,0]=3 154 B7R1.3 N[C@@H]1CCCNC1 AC-6185 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.3 N[C@@H]1CCCOC1 AC-29354 [0,1,0,1,0,0|0,1,0]=3 156 B7R1.3 N[C@H]1CCCNC1 AC-29157 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.3 N[C@H]1CCCOC1 AC-29355 [0,1,0,1,0,0|0,1,0]=3 158 B7R1.3 O=C1CCCCN1 AC-33837 [0,1,0,1,0,0|1,0,1]=4 159 B7R1.3 O=C1CCCNC1 AC-1207 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.3 O=C1CCNCC1 AC-30748 [0,1,0,1,0,0|1,0,1]=4 161 B7R1.3 O=C1CCSCC1 AC-1822 [0,1,0,1,0,0|1,0,1]=4 162 B7R1.3 O=C1CNCCN1 AC-1109 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.3 OC1CCCNC1 AC-2559 [0,1,0,1,0,0|1,0,0]=3 164 B7R1.3 OC1CCCNC1 AC-26297 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.3 OC1CCNCC1 AC-22474 [0,1,0,1,0,0|1,0,0]=3 166 B7R1.3 O[C@@H]1CCCNC1 AC-23873 [0,1,0,1,0,0|1,0,0]=3 167 B7R1.3 O[C@H]1CCCNC1 AC-23872 [0,1,0,1,0,0|1,0,0]=3 168 B7R1.3 S=C1CCCCN1 AC-8871 [0,1,0,1,0,0|1,0,1]=4 169 B7R1.4 NC1CCNC1=O AC-29504 [0,1,0,1,0,0|1,0,1]=4 170 B7R1.4 NC1CCSC1=O AC-31997 [0,1,0,1,0,0|0,0,1]=3 171 B7R1.4 N[C@@H]1CCC[C@H]1O AC-973 [0,1,0,1,0,0|1,0,0]=3 172 B7R1.4 N[C@@H]1CCNC1=O AC-24599 [0,1,0,1,0,0|1,0,1]=4 173 B7R1.4 N[C@@H]1CCNC1=O AC-29229 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.4 N[C@@H]1CCOC1=O AC-23765 [0,1,0,1,0,0|0,1,1]=4 175 B7R1.4 N[C@H]1CCC[C@@H]1O AC-7071 [0,1,0,1,0,0|1,0,0]=3 176 B7R1.4 N[C@H]1CCC[C@H]1O AC-7072 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.4 N[C@H]1CCOC1=O AC-5669 [0,1,0,1,0,0|0,1,1]=4 178 B7R1.4 O=C1NCC[C@@H]1O AC-24360 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.25 CC1(CO)COC1 AC-2106 [0,1,0,1,0,0|1,1,0]=4 180 B7R1.12 CC1CC1C(N)=O AC-31195 [0,1,0,1,0,0|1,0,1]=4 181 B7R1.14 CC1(O)CCCC1 AC-8842 [0,1,0,1,0,0|2,0,0]=4 182 B7R1.14 FC1(F)CCNC1 AC-6623 [0,1,0,1,0,0|2,0,0]=4 183 B7R1.18 N=C(N)C1CCC1 AC-27442 [0,1,0,1,0,0|1,0,1]=4 184 B7R1.18 NC(=O)C1CCC1 AC-29431 [0,1,0,1,0,0|1,0,1]=4 185 B7R1.18 O=C(O)C1CCN1 AC-23205 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.18 O=C(O)C1CCN1 AC-23581 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.18 O=C(O)C1CCN1 AC-5888 [0,1,0,1,0,0|2,0,0]=4 188 B7R1.18 O=C(O)[C@@H]1CCN1 AC-5699 [0,1,0,1,0,0|2,0,0]=4 189 B7R1.24 C1CNCCNC1 AC-4548 [0,1,0,1,0,0|1,0,0]=3 190 B7R2.13 C1NCC2CC12 AC-31192 [0,0,0,2,0,0|1,0,0]=3