0 B5R0.1 C#CCN(C)C BB_SC-06626 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=C(C)CCO BB_NC-02269 [0,0,0,0,0,0|0,1,2]=3 2 B5R0.1 C=COC(C)=O BB_SC-12396 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(=O)CCO BB_SC-06926 [0,0,0,0,0,0|1,1,1]=3 4 B5R0.1 CC(C)=CCO BB_NC-02261 [0,0,0,0,0,0|0,1,0]=1 5 B5R0.1 CC(C)CC=O BB_NC-02289 [0,0,0,0,0,0|0,1,3]=4 6 B5R0.1 CC(C)CCBr BB_SC-07141 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(C)CCI BB_SC-06842 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.1 CC(C)CCS BB_SC-06570 [0,0,0,0,0,0|0,0,2]=2 9 B5R0.1 CC(C)N=C=S BB_NC-02791 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.1 CC(O)CCO BB_SC-11995 [0,0,0,0,0,0|1,1,2]=4 11 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 CCCC(C)O BB_SC-07025 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 CN(C)CCCl BB_SC-07254 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CN(C)CCN BB_SC-10968 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CSCC(C)=O BB_SC-12665 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 NCCC(=O)O BB_SC-12000 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 C=C(C)C#N BB_SC-06810 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 CC(=O)CCl BB_SC-12393 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(=O)CO BB_SC-06929 [1,0,0,0,0,0|1,1,0]=3 28 B4R0.1 CC(C)C=O BB_SC-11515 [1,0,0,0,0,0|0,1,1]=3 29 B4R0.1 CC(C)CBr BB_SC-12386 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 CC(C)CI BB_SC-06912 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 CC(N)CN BB_SC-06623 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 CC(O)CCl BB_SC-06971 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(O)CO BB_SC-07047 [1,0,0,0,0,0|1,1,1]=4 34 B4R0.1 CCC(=O)Cl BB_SC-06942 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CCC(C)=O BB_SC-06989 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 CCC(C)N BB_SC-06740 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 CCC(C)O BB_SC-07031 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CNC(=N)N BB_SC-06585 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CNC(N)=O BB_SC-07198 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 COC(=N)N BB_SC-07172 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 COC(=O)Cl BB_SC-07075 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 COC(N)=O BB_SC-06903 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CSC(=N)N BB_SC-07197 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 C\C(N)=N\O BB_SC-09052 [1,0,0,0,0,0|2,1,0]=4 45 B4R0.1 NC(=O)CCl BB_SC-06849 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 O=C(Br)CBr BB_SC-06823 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 O=C(Cl)CCl BB_SC-06733 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 O=C(O)CCl BB_SC-12338 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 O=C(O)CI BB_SC-06475 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 CC=CCO BB_NC-02275 [1,0,0,0,0,0|0,1,0]=2 52 B4R0.2 CCCCCl BB_SC-07054 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 CCCCI BB_SC-06943 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 CCCCN BB_SC-06761 [1,0,0,0,0,0|1,0,2]=4 55 B4R0.2 CNCCN BB_NC-02991 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 CNCCO BB_SC-06928 [1,0,0,0,0,0|1,1,1]=4 57 B4R0.2 COCCBr BB_SC-07068 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 COCCCl BB_SC-07014 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 C\C=C\C#N BB_SC-12445 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.2 C\C=C\C=O BB_SC-06898 [1,0,0,0,0,0|0,1,1]=3 61 B6R0.1 CCOC(=O)CBr BB_SC-06646 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.1 CCOC(=O)CCl BB_SC-06777 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.1 CCOC(=O)CS BB_SC-07162 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.1 COC(=O)CCBr BB_SC-11223 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 COC(=O)CCN BB_NC-01738 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [0,1,0,0,0,0|0,1,1]=3 67 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [0,1,0,0,0,0|0,1,1]=3 69 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [0,1,0,0,0,0|1,1,1]=4 70 B6R0.3 COC(=O)C(C)=O BB_SC-06762 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(=O)CCCCl BB_SC-07709 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 CC(=O)NCCN BB_SC-10762 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(C)OCCCl BB_SC-03437 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.4 CCCCC(C)=O BB_SC-06917 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.4 CN(C)CCC#N BB_SC-06817 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 CN(C)CCCCl BB_SC-05456 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.4 CN(C)CCCN BB_SC-06473 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.4 CN(C)CCCO BB_SC-06804 [0,1,0,0,0,0|1,1,1]=4 81 B6R0.5 C[N+](C)(C)CCO BB_NC-02276 [0,1,0,0,0,0|1,1,1]=4 82 B6R1.2 CC1=CC=NN1 BB_SC-03908 [0,0,0,1,0,0|2,0,1]=4 83 B6R1.2 ClC1=NSN=C1 BB_SC-11187 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 NC1=NCCC1 BB_SC-10415 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.2 O=C1CCCC1 BB_SC-09627 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 O=C1CCSC1 BB_SC-08806 [0,0,0,1,0,0|1,0,1]=3 87 B6R1.11 CC(=O)C1CC1 BB_SC-06709 [0,0,0,1,0,0|2,0,1]=4 88 B3R0.1 C=CC#N BB_SC-05732 [2,0,0,0,0,0|1,0,1]=4 89 B3R0.1 CCCI BB_SC-06937 [2,0,0,0,0,0|1,0,1]=4 90 B3R0.1 CNC=O BB_SC-06939 [2,0,0,0,0,0|1,1,0]=4 91 B3R0.1 O=CC=O BB_SC-07204 [2,0,0,0,0,0|1,1,0]=4 92 B3R0.1 SCCS BB_SC-06621 [2,0,0,0,0,0|1,0,1]=4 93 B3R0.2 CC(=N)N BB_SC-06819 [2,0,0,0,0,0|2,0,0]=4 94 B3R0.2 CC(C)Br BB_SC-06848 [2,0,0,0,0,0|1,0,1]=4 95 B3R0.2 CC(C)I BB_SC-06934 [2,0,0,0,0,0|1,0,1]=4 96 B5R0.3 C=CC(=O)OC BB_SC-06906 [1,1,0,0,0,0|1,0,1]=4 97 B5R0.3 CCC(=O)CC BB_SC-06948 [1,1,0,0,0,0|1,0,1]=4 98 B5R0.3 CNC(=O)NC BB_SC-07191 [1,1,0,0,0,0|2,0,0]=4 99 B5R0.3 COC(=O)CN BB_NC-03070 [1,1,0,0,0,0|2,0,0]=4 100 B5R0.3 COC(=O)CO BB_SC-06427 [1,1,0,0,0,0|1,1,0]=4 101 B5R0.3 COC(=O)CS BB_SC-06606 [1,1,0,0,0,0|1,0,0]=3 102 B5R0.3 O=C(CCl)CCl BB_SC-08807 [1,1,0,0,0,0|2,0,0]=4 103 B5R0.4 CC(C)(N)CO BB_SC-06588 [1,1,0,0,0,0|0,1,1]=4 104 B5R0.4 C[Si](C)(C)CN BB_SC-09439 [1,1,0,0,0,0|1,1,0]=4 105 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [1,1,0,0,0,0|0,1,1]=4 106 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,1,0,0,0,0|0,1,1]=4 107 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [1,1,0,0,0,0|0,1,1]=4 108 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,1,0,0,0,0|1,1,0]=4 109 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [1,1,0,0,0,0|1,0,0]=3 110 B5R0.5 CC(C)C(=N)N BB_SC-09590 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,1,0,0,0,0|0,1,1]=4 112 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,1,0,0,0,0|0,1,1]=4 113 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [1,1,0,0,0,0|1,1,0]=4 115 B5R0.5 CN(C)C(=S)Cl BB_SC-06432 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.5 CN(C)C(=S)[S-] BB_SC-06476 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.2 CC(C)NC(=O)CN BB_SC-04121 [0,2,0,0,0,0|1,0,1]=4 119 B7R0.3 COC(=O)C=CCBr BB_SC-05586 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.5 C=C(C)C(=O)OCC BB_SC-06809 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.5 CCOC(=O)C(C)=O BB_SC-05733 [0,2,0,0,0,0|2,0,0]=4 122 B7R0.5 CNCC(=O)N(C)C BB_SC-03467 [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|1,0,1]=4 124 B7R0.6 CC(=O)C=CC(C)C BB_NC-02028 [0,2,0,0,0,0|2,0,0]=4 125 B5R1.3 BrCC1CC1 BB_SC-04711 [1,0,0,1,0,0|1,0,1]=4 126 B5R1.3 C(=O)C1CC1 BB_SC-11514 [1,0,0,1,0,0|0,1,1]=4 127 B5R1.3 NCC1CC1 BB_SC-04639 [1,0,0,1,0,0|1,0,1]=4 128 B5R1.1 C1=COCC1 BB_SC-06597 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 CNC1CCSC1 BB_SC-11874 [0,1,0,1,0,0|0,0,2]=4 130 B7R1.3 O=C1C=CCCC1 BB_SC-07147 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.3 O=C1CCSCC1 BB_SC-06397 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.4 CC1=CC=NN1C BB_SC-02404 [0,1,0,1,0,0|1,0,1]=4