0 B8R0.7 CCCCCCC(C)=O PHBB_SC-04965 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 CCCS\C=C/C(=O)[O-] PHBB_SC-04002 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.7 O=C(O)CCCCCBr PHBB_SC-05192 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.1 C=CCCCCCC PHBB_SC-05229 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 CCCCCC(C)=O PHBB_SC-04832 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.4 CCCCOC(=O)Cl PHBB_SC-04873 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.4 CCC\C=C/C(=O)O PHBB_NC-01804 [1,0,0,0,0,0|0,0,0]=1 7 B7R0.4 C\C=C\C=C\C(=O)O PHBB_NC-00670 [1,0,0,0,0,0|0,0,2]=3 8 B7R0.4 NCCCCC(=O)O PHBB_NC-02991 [1,0,0,0,0,0|1,0,1]=3 9 B9R0.2 CCCCCCCC(=O)Cl PHBB_SC-04901 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.2 CCCCCCCC(C)=O PHBB_SC-04979 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.46 CCCCCCC(=O)OC PHBB_SC-05069 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.47 C=C(C)C(=O)OCCCC PHBB_SC-05059 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.47 [C@@H](N)(CCCCN)C(=O)O PHBB_NC-01965 [0,1,0,0,0,0|1,0,2]=4 14 B9R0.47 [C@H](N)(CCNCC)C(=O)O PHBB_NC-01597 [0,1,0,0,0,0|1,0,2]=4 15 B9R1.6 NC(=O)C1CCCCN1 PHBB_SC-08762 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.6 O=C(O)C1CCCCN1 PHBB_SC-11307 [0,0,0,1,0,0|1,0,1]=3 17 B9R1.6 O=C(O)C1CCCNC1 PHBB_SC-08474 [0,0,0,1,0,0|1,0,2]=4 18 B9R1.6 O=C(O)C1CCNCC1 PHBB_SC-04654 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.7 CCCN1C=CC(C)=N1 PHBB_SC-02816 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.7 CCCN1C=CC(N)=N1 PHBB_SC-02553 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.13 O=C(O)CN1CCCC1 PHBB_SC-03695 [0,0,0,1,0,0|1,0,1]=3 22 B9R1.41 CC1=C(C(=O)O)C=NN1 PHBB_SC-04643 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.41 CN1N=CC=C1C(=O)O PHBB_SC-04405 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.50 O=C1CCCCCCC1 PHBB_SC-04891 [0,0,0,1,0,0|1,0,2]=4 25 B6R0.6 CCCCN=C=O PHBB_SC-04717 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.6 CCCCOC=O PHBB_SC-05072 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 C=CCCC(=O)O PHBB_NC-03019 [2,0,0,0,0,0|0,0,2]=4 28 B6R0.4 CC(=O)CCCCl PHBB_SC-05457 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 CCCCC(=O)Cl PHBB_SC-04938 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.4 CCCCC(C)=O PHBB_SC-04978 [2,0,0,0,0,0|1,0,0]=3 31 B6R0.4 CC\C=C\C(=O)O PHBB_NC-03021 [2,0,0,0,0,0|0,0,0]=2 32 B6R0.4 NCCCC(=O)O PHBB_NC-03308 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.4 O=C(Cl)CCCCl PHBB_SC-04914 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.5 CCOC(=O)CC(=O)O PHBB_SC-04446 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.8 CCCCC(Br)C(=O)O PHBB_SC-04834 [1,1,0,0,0,0|0,0,1]=3 36 B8R0.8 CCCCC(N)C(=O)O PHBB_SC-05891 [1,1,0,0,0,0|0,0,1]=3 37 B8R0.8 CSCCC(N)C(=O)O PHBB_NC-00807 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.28 CN(C)CCCC(=O)O PHBB_SC-06113 [1,1,0,0,0,0|1,0,1]=4 39 B10R0.59 COC(=O)\C=C\CC(=O)OC PHBB_SC-05205 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.4 CCCCCCCCC(=O)O PHBB_SC-05232 [0,2,0,0,0,0|0,0,2]=4 41 B10R0.74 CCCCCCCC(=O)OC PHBB_SC-05070 [0,2,0,0,0,0|0,0,2]=4 42 B10R0.75 CCCCCCC(N)C(=O)O PHBB_NC-01986 [0,2,0,0,0,0|0,0,2]=4 43 B8R1.5 CC1CCCCC1=O PHBB_SC-04945 [1,0,0,1,0,0|0,0,2]=4 44 B8R1.8 NCCC1=CC=CO1 PHBB_SC-12255 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.22 O=C1CCCCCN1 PHBB_SC-04792 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.22 O=C1CCCCCO1 PHBB_SC-04881 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.1 O=C1NCC(CCl)O1 PHBB_SC-07898 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.4 CC1CCCC(=O)C1 PHBB_SC-05010 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.7 O=C(O)C1CCCO1 PHBB_SC-04940 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.31 CCC1=CC=C(C(=O)O)S1 PHBB_SC-07352 [0,1,0,1,0,0|0,0,2]=4 51 B10R1.31 CCN1C=C(C(=O)O)C=N1 PHBB_SC-03332 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.18 O=C(O)CN1CCCCC1 PHBB_SC-04544 [0,1,0,1,0,0|0,0,2]=4 53 B10R1.18 O=C(O)CN1CCOCC1 PHBB_SC-00650 [0,1,0,1,0,0|1,0,1]=4 54 B10R1.66 O=C(O)CCN1CCCC1 PHBB_SC-08697 [0,1,0,1,0,0|0,0,2]=4 55 B10R1.66 O=C(O)CNC1=NCCC1 PHBB_SC-09680 [0,1,0,1,0,0|1,0,1]=4 56 B10R1.2 CCC1=C(O)C(=O)C=CO1 PHBB_NC-03737 [0,1,0,1,0,0|1,0,1]=4 57 B10R1.113 NC1CCCC(C(=O)O)C1 PHBB_SC-07087 [0,1,0,1,0,0|0,0,2]=4 58 B10R1.363 NC1(C(=O)O)CCCCC1 PHBB_SC-07884 [0,1,0,1,0,0|0,0,2]=4