0 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(=O)CC BB_SC-06948 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 CCC(=O)NO BB_SC-06499 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CCC(N)CO BB_SC-06587 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CNC(=O)NC BB_SC-07191 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.3 COC(=O)CN BB_NC-03070 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 COC(=O)CO BB_SC-06427 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.3 COC(=O)CS BB_SC-06606 [0,0,0,0,0,0|2,1,0]=3 8 B5R0.3 COC(=O)NN BB_SC-07168 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.3 NCC(O)CN BB_SC-06694 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 OCC(O)CCl BB_SC-06682 [0,0,0,0,0,0|1,0,2]=3 12 B4R0.1 C#CC(=O)O BB_SC-06516 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 C=C(C)C#N BB_SC-06810 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|0,0,2]=3 21 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CNC(N)=O BB_SC-07198 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 COC(=O)Cl BB_SC-07075 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.1 COC(N)=O BB_SC-06903 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.1 C\C(N)=N\O BB_SC-09052 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 NC(=O)CCl BB_SC-06849 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 NC(=O)NO BB_SC-07256 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 NNC(N)=O BB_SC-07175 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 O=C(Br)CBr BB_SC-06823 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 O=C(Cl)CCl BB_SC-06733 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 O=C(O)CCl BB_SC-12338 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 O=C(O)CI BB_SC-06475 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 BrCCCBr BB_SC-06684 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.2 N#CCCO BB_SC-02742 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 NCCCBr BB_SC-06502 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.2 NCCCCl BB_SC-07208 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.2 NCCCN BB_NC-02306 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 NNCCO BB_SC-09930 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 OCCCBr BB_SC-07264 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.1 C=CC(=O)OCC BB_SC-07096 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,1,0,0,0,0|1,1,0]=3 53 B6R0.1 CCOC(=O)NN BB_SC-07159 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CNCC(=O)NC BB_NC-02631 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.1 CNCC(O)CO BB_SC-04061 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.1 COC(=O)CC#N BB_SC-06876 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 COC(=O)CCN BB_NC-01738 [0,1,0,0,0,0|3,0,0]=4 59 B6R0.1 N#CCC(=O)NN BB_SC-07187 [0,1,0,0,0,0|3,0,0]=4 60 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.3 CNC(=O)[C@H](C)N BB_NC-02402 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.3 COC(=O)[C@H](C)N BB_NC-01234 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.8 CC(N)(CO)CO BB_SC-06454 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.8 O=P(O)(CCl)CCl BB_SC-01543 [0,1,0,0,0,0|3,0,0]=4 66 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,1,0,0|2,0,0]=3 67 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,1,0,0|1,1,0]=3 68 B3R0.1 BrCCBr BB_SC-07189 [2,0,0,0,0,0|2,0,0]=4 69 B3R0.1 C#CCO BB_SC-06540 [2,0,0,0,0,0|0,0,2]=4 70 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,1]=4 71 B3R0.1 CNC=O BB_SC-06939 [2,0,0,0,0,0|2,0,0]=4 72 B3R0.1 ClCCBr BB_SC-06512 [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 NCCBr BB_SC-12695 [2,0,0,0,0,0|2,0,0]=4 74 B3R0.1 NCCCl BB_SC-07224 [2,0,0,0,0,0|2,0,0]=4 75 B3R0.1 O=CC=O BB_SC-07204 [2,0,0,0,0,0|0,0,2]=4 76 B3R0.1 OCCBr BB_SC-07017 [2,0,0,0,0,0|1,0,0]=3 77 B3R0.1 OCCCl BB_SC-07062 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.1 OCCF BB_SC-00430 [2,0,0,0,0,0|1,0,0]=3 79 B3R0.1 OCCI BB_SC-04664 [2,0,0,0,0,0|1,0,0]=3 80 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|0,2,0]=4 81 B3R0.2 CC(=N)N BB_SC-06819 [2,0,0,0,0,0|2,0,0]=4 82 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|1,0,1]=4 83 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 C=C(C)CCO BB_NC-02269 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.1 C=COC(C)=O BB_SC-12396 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.1 CC(=O)CCO BB_SC-06926 [1,1,0,0,0,0|0,0,0]=2 87 B5R0.1 CC(C)=CCO BB_NC-02261 [1,1,0,0,0,0|1,0,0]=3 88 B5R0.1 CC(O)CCO BB_SC-11995 [1,1,0,0,0,0|0,0,2]=4 89 B5R0.1 CCCC(=O)Cl BB_SC-06847 [1,1,0,0,0,0|2,0,0]=4 90 B5R0.1 CCOC(=O)Cl BB_SC-07081 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.1 CNCC(=O)O BB_NC-02298 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.1 CNCC(N)=O BB_NC-02649 [1,1,0,0,0,0|2,0,0]=4 93 B5R0.1 COCC(=O)Cl BB_SC-11218 [1,1,0,0,0,0|1,0,0]=3 94 B5R0.1 CSCC(C)=O BB_SC-12665 [1,1,0,0,0,0|0,1,0]=3 95 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.1 N#CCC(=O)O BB_SC-07146 [1,1,0,0,0,0|1,0,0]=3 97 B5R0.1 N#CCC(N)=O BB_SC-06719 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.1 NC(=O)CCCl BB_SC-07003 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.1 NCCC(=O)O BB_SC-12000 [1,1,0,0,0,0|1,0,0]=3 100 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [1,1,0,0,0,0|2,0,0]=4 101 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [1,1,0,0,0,0|2,0,0]=4 102 B5R0.1 O=C(O)CCBr BB_SC-12703 [1,1,0,0,0,0|1,0,0]=3 103 B5R0.1 O=C(O)CCCl BB_SC-06966 [1,1,0,0,0,0|1,0,0]=3 104 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.4 NCS(=O)(=O)O BB_SC-09402 [1,1,0,0,0,0|2,0,0]=4 106 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,1,0,0,0,0|1,0,1]=4 107 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,1,0,0,0,0|0,0,1]=3 108 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [1,1,0,0,0,0|0,0,2]=4 109 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,1,0,0,0,0|2,0,0]=4 110 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,1,0,0,0,0|1,0,0]=3 111 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,1,0,0,0,0|1,0,0]=3 112 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,1,0,0,0,0|0,1,0]=3 113 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [1,1,0,0,0,0|0,0,0]=2 115 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [1,1,0,0,0,0|2,0,0]=4 117 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.2 CCNCCO BB_SC-07158 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.2 COCCCN BB_SC-06753 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [0,2,0,0,0,0|2,0,0]=4 121 B7R0.3 CCCCC(=O)CC BB_SC-07061 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.3 COCC\C(N)=N\O BB_SC-12262 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.3 NNC(=O)CCCO BB_SC-03913 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.5 CCOC(=O)C(F)F BB_SC-04011 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.5 [C@@H](C)(O)C(=O)OCC BB_NC-02266 [0,2,0,0,0,0|1,0,0]=3 126 B7R0.7 CCCC(=O)CCC BB_SC-06946 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.7 CCOC(=O)CC#N BB_SC-06620 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.7 CCOC(=O)CNN BB_SC-02643 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.7 OCNC(=S)NCO BB_SC-05376 [0,2,0,0,0,0|0,1,0]=3 130 B7R0.10 [C@H](N)(CO)C(=O)OC BB_NC-02218 [0,2,0,0,0,0|2,0,0]=4 131 B7R0.18 CCC(N)(CO)CO BB_SC-07123 [0,2,0,0,0,0|1,0,1]=4 132 B7R0.18 NC(CO)(CO)CO BB_SC-06482 [0,2,0,0,0,0|0,0,2]=4 133 B7R0.18 NC(CO)(CO)CO BB_SC-11997 [0,2,0,0,0,0|0,0,2]=4 134 B5R1.1 C1=COCC1 BB_SC-06597 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.3 O=C1CCCCN1 BB_SC-06941 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.3 O=C1CCNCC1 BB_SC-06576 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.3 O=C1CCOCC1 BB_SC-11189 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,1,0,1,0,0|1,1,0]=4 141 B7R1.3 O=C1CNCCN1 BB_SC-04934 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.3 OC1COCOC1 BB_SC-07035 [0,1,0,1,0,0|0,0,2]=4 143 B7R1.4 NC1CCOC1=O BB_NC-01193 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.4 NC1CCSC1=O BB_SC-05358 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.4 N[C@@H]1CONC1=O BB_NC-01631 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.4 O=C1OCCC1Br BB_SC-08882 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.4 OC1COCC1O BB_NC-00093 [0,1,0,1,0,0|0,0,2]=4 148 B7R1.25 CC1(CO)COC1 BB_SC-05506 [0,1,0,1,0,0|1,0,1]=4