0 B7R0.2 COC(=O)CC(C)=O BB_SC-06865 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC(C)N=C=S BB_NC-02793 [1,0,0,0,0,0|1,1,1]=4 2 B6R0.2 CC(=O)C=C(C)C BB_NC-02260 [1,0,0,0,0,0|1,0,2]=4 3 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.2 CC(C)=CC(=O)Cl BB_SC-07152 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [1,0,0,0,0,0|0,0,0]=1 7 B6R0.2 CC(C)OC(=S)[S-] BB_SC-00268 [1,0,0,0,0,0|1,2,0]=4 8 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.2 CN(C)CC(N)=S BB_SC-02071 [1,0,0,0,0,0|2,1,0]=4 11 B6R0.4 C=CCCC(=O)O BB_NC-02314 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.4 CC(=O)CCCCl BB_SC-07709 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 CC(=O)NCCN BB_SC-10762 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 CCCCC(C)=O BB_SC-06917 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.4 NCCCC(=O)O BB_NC-02785 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BB_NC-02400 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.5 CCOC(=O)CC(C)=O BB_SC-07092 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.16 COC(CC(C)=O)OC BB_SC-06952 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.19 COC(=O)CC(=O)CCl BB_SC-11229 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.19 COC(=O)CC(=O)OC BB_SC-06935 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.23 CC(O)CC(O)C(C)C BB_SC-04747 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.23 CN(CC(=O)O)C(=N)N BB_NC-02326 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.1 O=C1NCC(CCl)O1 BB_SC-05415 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.4 CN1CCCC(O)C1 BB_SC-02158 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.4 O=C1CCCC(=O)C1 BB_SC-06889 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.51 NC1CCS(=O)(=O)C1 BB_SC-01160 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.51 NC1CCS(=O)(=O)C1 BB_SC-12371 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.51 O=S1(=O)CCC(O)C1 BB_SC-01162 [0,0,0,1,0,0|2,0,1]=4 37 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [0,0,0,0,1,0|1,0,0]=2 38 B6R0.3 C\C=C(/C)C(=O)O BB_NC-02228 [0,0,0,0,1,0|0,0,2]=3 39 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [0,0,0,0,1,0|2,0,0]=3 40 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [0,0,0,0,1,0|2,0,0]=3 41 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,0,0,0,0,1|2,0,1]=4 42 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [0,0,0,0,0,1|2,0,1]=4 43 B5R0.1 CC(=O)CCO BB_SC-06926 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CC(C)CC=O BB_NC-02289 [2,0,0,0,0,0|0,0,0]=2 45 B5R0.1 CC(C)CCBr BB_SC-07141 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 CC(C)CCI BB_SC-06842 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.1 CC(C)CCS BB_SC-06570 [2,0,0,0,0,0|0,1,1]=4 48 B5R0.1 CC(O)CCO BB_SC-11995 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 CCCC(=O)Cl BB_SC-06847 [2,0,0,0,0,0|1,0,0]=3 50 B5R0.1 CCCC(C)O BB_SC-07025 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CCC[N+](=O)[O-] BB_SC-06933 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 CCOC(=O)Cl BB_SC-07081 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CNCC(=O)O BB_NC-02298 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CNCC(N)=O BB_NC-02649 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 COCC(=O)Cl BB_SC-11218 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CSCC(C)=O BB_SC-12665 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [2,0,0,0,0,0|0,0,2]=4 58 B5R0.1 N#CCC(=O)O BB_SC-07146 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 NC(=O)CCCl BB_SC-07003 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 NCCC(=O)O BB_SC-12000 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 O=C(O)CCBr BB_SC-12703 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 O=C(O)CCCl BB_SC-06966 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.2 CCCCC=O BB_NC-02285 [2,0,0,0,0,0|0,0,0]=2 66 B5R0.2 CCCCCN BB_SC-06799 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 CCNCCO BB_SC-07158 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.3 CCC(N)CO BB_SC-06587 [2,0,0,0,0,0|1,0,0]=3 69 B5R0.3 OCC(O)CCl BB_SC-06682 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.12 CCN(CC)CCO BB_SC-06638 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.9 CC(=O)CC(C)(C)O BB_NC-02286 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [1,1,0,0,0,0|0,0,0]=2 73 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [1,1,0,0,0,0|1,0,0]=3 74 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.4 CCCCCC(C)=O BB_SC-06722 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.4 CCCCOC(=O)Cl BB_SC-06779 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.4 CCC\C=C\C(=O)O BB_NC-02008 [1,1,0,0,0,0|0,0,1]=3 78 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,1,0,0,0,0|0,0,0]=2 79 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,1,0,0,0,0|0,0,1]=3 80 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.6 CC(C)COC(=O)Cl BB_SC-06877 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.6 CC(C)OCC(=O)O BB_SC-05189 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.15 COC(OC)C(C)=O BB_SC-06949 [0,1,0,0,1,0|2,0,0]=4 84 B9R0.43 CCN(CC)CCC(=O)O BB_SC-08357 [0,1,0,0,0,1|1,0,0]=3 85 B9R0.48 COCC(=O)NCC(=O)O BB_SC-10566 [0,1,0,0,0,1|1,0,1]=4 86 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC BB_NC-01741 [0,2,0,0,0,0|0,0,0]=2 87 B9R0.34 COCC(=O)CC(=O)OC BB_SC-05537 [0,2,0,0,0,0|1,0,1]=4 88 B9R0.39 CNC(CC(=O)O)C(=O)O BB_NC-01943 [0,2,0,0,0,0|1,0,1]=4 89 B9R0.10 CN(CC(=O)O)S(C)(=O)=O BB_SC-07350 [0,2,0,0,0,0|2,0,0]=4 90 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.2 C[C@@H]1COC(=O)O1 BB_NC-02716 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [1,0,0,1,0,0|1,0,1]=4 93 B7R1.7 CCCCC1CO1 BB_SC-05509 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.14 O=[S+]1([O-])CCCC1 BB_SC-06657 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,1,0,0|0,0,0]=2 96 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.1 CCN1CCC(=O)CC1 BB_SC-06999 [0,0,0,1,0,1|2,0,0]=4 98 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 BB_SC-09426 [0,0,0,1,0,1|2,0,0]=4 99 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,0,0,1,0,1|1,0,1]=4 100 B9R1.13 O=C(O)CN1CCCC1 BB_SC-04947 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.34 CC1CC(=O)CC(=O)C1 BB_SC-12667 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.34 CC1CC(=O)OC(=O)C1 BB_SC-00219 [0,1,0,1,0,0|0,0,1]=3 103 B9R1.38 CC1CC(C)S(=O)(=O)C1 BB_SC-06721 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.66 CC1(C)CC(=O)CCO1 BB_NC-00274 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.146 CC1(N)CCS(=O)(=O)C1 BB_SC-01469 [0,1,0,1,0,0|1,0,1]=4 106 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [1,0,0,0,1,0|0,0,2]=4 107 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [1,0,0,0,1,0|1,0,1]=4 108 B5R0.5 CC(C)C(=N)N BB_SC-09590 [1,0,0,0,1,0|2,0,0]=4 109 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [1,0,0,0,1,0|1,0,0]=3 110 B5R0.5 CC(C)C(=O)O BB_SC-06843 [1,0,0,0,1,0|0,0,0]=2 111 B5R0.5 CC(C)[N+](=O)[O-] BB_SC-07078 [1,0,0,0,1,0|1,0,1]=4 112 B5R0.5 CC(O)C(N)=O BB_SC-07034 [1,0,0,0,1,0|2,0,0]=4 113 B5R0.5 CC(S)C(=O)O BB_SC-09380 [1,0,0,0,1,0|1,0,0]=3 114 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [1,0,0,0,1,0|2,0,0]=4 115 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [1,0,0,0,1,0|2,0,0]=4 116 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [1,0,0,0,1,0|1,0,0]=3 117 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [1,0,0,0,1,0|2,0,0]=4