0 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BB_NC-02400 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.16 CC(C)C(Br)C(=O)O BB_SC-00176 [1,0,0,0,0,0|1,0,0]=2 2 B7R0.16 CC(O)C(N)C(=O)O BB_SC-09459 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O BB_NC-03162 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC BB_NC-01741 [0,1,0,0,0,0|0,0,0]=1 5 B6R0.2 CC(=O)CC(C)C BB_SC-12684 [2,0,0,0,0,0|1,0,0]=3 6 B6R0.2 CC(C)CC(=O)Cl BB_SC-06957 [2,0,0,0,0,0|1,0,0]=3 7 B6R0.2 CC(C)CC(=O)O BB_NC-02309 [2,0,0,0,0,0|0,0,0]=2 8 B6R0.2 CC(O)CC(=O)O BB_NC-02216 [2,0,0,0,0,0|1,0,0]=3 9 B6R0.2 CN(C)CC(=O)O BB_SC-06622 [2,0,0,0,0,0|1,0,0]=3 10 B6R0.4 C=CCCC(=O)O BB_NC-02314 [2,0,0,0,0,0|0,0,2]=4 11 B6R0.4 CC(=O)CCCCl BB_SC-07709 [2,0,0,0,0,0|2,0,0]=4 12 B6R0.4 CCCCC(=O)Cl BB_SC-06859 [2,0,0,0,0,0|1,0,0]=3 13 B6R0.4 CCCCC(C)=O BB_SC-06917 [2,0,0,0,0,0|1,0,0]=3 14 B6R0.4 CC\C=C\C(=O)O BB_NC-02316 [2,0,0,0,0,0|0,0,2]=4 15 B6R0.4 NCCCC(=O)O BB_NC-02785 [2,0,0,0,0,0|1,0,0]=3 16 B6R0.4 O=C(Cl)CCCCl BB_SC-06828 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.3 CC(C)\C(N)=N\O BB_SC-09261 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.3 CCC(Br)C(=O)O BB_SC-09405 [2,0,0,0,0,0|1,0,0]=3 19 B6R0.3 NC(CO)C(=O)O BB_SC-09461 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.3 N[C@@H](CS)C(=O)O BB_NC-02302 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.5 CCOC(=O)CC(=O)O BB_SC-06245 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.16 COC(CC(C)=O)OC BB_SC-06952 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.19 CCC(=O)CC(C)CC BB_SC-06894 [1,1,0,0,0,0|1,0,0]=3 24 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [1,1,0,0,0,0|1,0,0]=3 25 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [1,1,0,0,0,0|0,0,0]=2 26 B8R0.8 CSCCC(N)C(=O)O BB_NC-01175 [1,1,0,0,0,0|0,0,0]=2 27 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-01043 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S BB_NC-02929 [1,1,0,0,0,0|0,0,0]=2 29 B8R1.4 CC1CCCC(=O)C1 BB_SC-06963 [1,0,0,1,0,0|1,0,0]=3 30 B8R1.5 CC1CCCCC1=O BB_SC-06869 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.5 O=C1CCCCC1Cl BB_SC-05549 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [1,0,0,1,0,0|1,0,0]=3 33 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.30 C[C@]1(C(=O)O)C[C@@H]1Br BB_SC-02689 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.50 CC1CCC(=O)C1=O BB_NC-01986 [1,0,0,1,0,0|1,0,1]=4 38 B10R1.113 NC1CCCC(C(=O)O)C1 BB_SC-02645 [0,0,0,1,0,1|2,0,0]=4 39 B10R1.34 O=C1O[C@H](CO)[C@@H](O)[C@H]1O BB_NC-00562 [0,1,0,1,0,0|2,0,0]=4