0 B5R0.3 CCC(=O)CC BB_SC-06948 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 CCC(=O)NO BB_SC-06499 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(N)CO BB_SC-06587 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 COC(=O)CN BB_NC-03070 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 COC(=O)CO BB_SC-06427 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 COC(=O)CS BB_SC-06606 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 COC(=O)NN BB_SC-07168 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 NCC(O)CN BB_SC-06694 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 OCC(O)CCl BB_SC-06682 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 C#CC(C)O BB_SC-06602 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|2,0,0]=3 18 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|0,0,0]=1 22 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CNC(=N)N BB_SC-06585 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CNC(N)=O BB_SC-07198 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 COC(=N)N BB_SC-07172 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 COC(N)=O BB_SC-06903 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CSC(=N)N BB_SC-07197 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C\C(N)=N\O BB_SC-09052 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 NC(=O)CCl BB_SC-06849 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.2 BrCCCBr BB_SC-06684 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|0,0,0]=1 36 B4R0.2 CCN=C=S BB_SC-06545 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 CNCCN BB_NC-02991 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 COCCBr BB_SC-07068 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 COCCCl BB_SC-07014 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 N#CCCBr BB_SC-09411 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.2 N#CCCO BB_SC-02742 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 NCCCBr BB_SC-06502 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.2 NCCCCl BB_SC-07208 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 NCCCN BB_NC-02306 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.2 NNCCO BB_SC-09930 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 OCCCBr BB_SC-07264 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.1 CCC(C)N=C=S BB_NC-02793 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,1,0,0,0,0|2,0,1]=4 53 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,1,0,0,0,0|2,0,1]=4 54 B6R0.1 CNCC(O)CO BB_SC-04061 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 COC(=O)CCN BB_NC-01738 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.8 CC(N)(CO)CO BB_SC-06454 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.9 COC(CCl)OC BB_SC-07093 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.9 COC(CN)OC BB_SC-06731 [0,1,0,0,0,0|1,0,0]=2 62 B6R1.2 NC1CCCC1 BB_SC-12557 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,1,0,0|2,0,1]=4 65 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 66 B3R0.1 C#CCN BB_SC-08803 [2,0,0,0,0,0|0,0,2]=4 67 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,0]=3 68 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 69 B3R0.1 N#CCN BB_SC-06479 [2,0,0,0,0,0|1,0,1]=4 70 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|1,0,0]=3 71 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|2,0,0]=4 74 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|2,0,0]=4 75 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|2,0,0]=4 76 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.2 CC(=N)N BB_SC-06819 [2,0,0,0,0,0|1,0,1]=4 78 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|1,0,0]=3 79 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.1 C#CCN(C)C BB_SC-06626 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.1 C=C(C)CCO BB_NC-02269 [1,1,0,0,0,0|0,0,2]=4 82 B5R0.1 CC(=O)CCO BB_SC-06926 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.1 CC(C)=CCO BB_NC-02261 [1,1,0,0,0,0|0,0,2]=4 84 B5R0.1 CC(C)CC=O BB_NC-02289 [1,1,0,0,0,0|0,0,1]=3 85 B5R0.1 CC(C)CCBr BB_SC-07141 [1,1,0,0,0,0|0,0,0]=2 86 B5R0.1 CC(C)CCI BB_SC-06842 [1,1,0,0,0,0|0,0,0]=2 87 B5R0.1 CC(C)CCS BB_SC-06570 [1,1,0,0,0,0|0,0,0]=2 88 B5R0.1 CC(C)N=C=S BB_NC-02791 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.1 CC(O)CCO BB_SC-11995 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.1 CCCC(C)O BB_SC-07025 [1,1,0,0,0,0|1,0,0]=3 91 B5R0.1 CN(C)CCCl BB_SC-07254 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.1 CN(C)CCN BB_SC-10968 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.1 CNCC(N)=O BB_NC-02649 [1,1,0,0,0,0|1,0,1]=4 94 B5R0.1 CSCC(C)=O BB_SC-12665 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.4 C#CC(C)(C)O BB_SC-06658 [1,1,0,0,0,0|0,0,2]=4 97 B5R0.4 CC(C)(C)NN BB_SC-11994 [1,1,0,0,0,0|1,0,0]=3 98 B5R0.4 CC(C)(N)C#N BB_SC-06521 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.4 CC(C)(O)C#N BB_SC-06536 [1,1,0,0,0,0|0,0,2]=4 101 B5R0.4 C[Si](C)(C)CN BB_SC-09439 [1,1,0,0,0,0|0,1,0]=3 102 B5R0.5 CC(C)C(=N)N BB_SC-09590 [1,1,0,0,0,0|0,0,1]=3 103 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,1,0,0,0,0|1,0,1]=4 104 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [1,1,0,0,0,0|2,0,0]=4 106 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [1,1,0,0,0,0|1,0,1]=4 108 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.2 BrCCCCBr BB_SC-06730 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.2 CCCCC=O BB_NC-02285 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.2 CCCCCN BB_SC-06799 [1,1,0,0,0,0|0,0,0]=2 112 B5R0.2 CCNCCO BB_SC-07158 [1,1,0,0,0,0|1,0,0]=3 113 B5R0.2 CCOCCBr BB_SC-07261 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.2 CNCCC#N BB_SC-07065 [1,1,0,0,0,0|0,0,2]=4 115 B5R0.2 CNCCCN BB_SC-07066 [1,1,0,0,0,0|0,0,0]=2 116 B5R0.2 COCCCN BB_SC-06753 [1,1,0,0,0,0|0,0,0]=2 117 B5R0.2 NCCCCN BB_NC-02221 [1,1,0,0,0,0|0,0,0]=2 118 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.7 CCOC(=O)CNN BB_SC-02643 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.7 CCOC(C)OCC BB_SC-07086 [0,2,0,0,0,0|1,0,0]=3 121 B7R0.12 CCN(CC)CCN BB_SC-06438 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.12 CCN(CC)CCO BB_SC-06638 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.12 CCN(CC)CCS BB_SC-06455 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.12 CNCC(OC)OC BB_SC-05502 [0,2,0,0,0,0|1,0,0]=3 125 B7R0.18 CCC(N)(CO)CO BB_SC-07123 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.18 NC(CO)(CO)CO BB_SC-06482 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.18 NC(CO)(CO)CO BB_SC-11997 [0,2,0,0,0,0|2,0,0]=4 128 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|1,0,0]=3 129 B5R1.3 C(=O)C1CC1 BB_SC-11514 [1,0,0,1,0,0|1,0,1]=4 130 B5R1.3 CCC1CO1 BB_SC-07230 [1,0,0,1,0,0|1,0,0]=3 131 B5R1.3 ClCC1CO1 BB_SC-06806 [1,0,0,1,0,0|2,0,0]=4 132 B5R1.3 ClC[C@@H]1CO1 BB_SC-10326 [1,0,0,1,0,0|2,0,0]=4 133 B5R1.3 ClC[C@H]1CO1 BB_SC-09935 [1,0,0,1,0,0|2,0,0]=4 134 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|0,0,0]=2 135 B7R1.1 BrCC1OCCO1 BB_SC-06594 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.1 CNC1CCSC1 BB_SC-11874 [0,1,0,1,0,0|1,0,0]=3 137 B7R1.1 ClCC1OCCO1 BB_SC-06593 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,1,0,1,0,0|1,0,1]=4 140 B7R1.3 CN1CCNCC1 BB_SC-06441 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.3 O=C1CNCCN1 BB_SC-04934 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.3 OC1CCCCC1 BB_SC-07055 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.3 OC1CCNCC1 BB_SC-02766 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.3 OC1COCOC1 BB_SC-07035 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,1,0,1,0,0|1,0,1]=4 147 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,1,0,1,0,0|1,0,1]=4 148 B7R1.4 NC1CSCC1O BB_NC-00016 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.4 OC1COCC1O BB_NC-00093 [0,1,0,1,0,0|2,0,0]=4 150 B7R1.25 CC1(CO)COC1 BB_SC-05506 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [0,1,0,1,0,0|1,0,1]=4