0 B14R1.160 NC1=C(C(=O)NCC(=O)[O-])C=CC=C1 PHBB_NC-03484 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 PHBB_SC-04071 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 PHBB_NC-00440 [1,0,0,0,0,0|0,0,0]=1 3 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 PHBB_NC-01600 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 PHBB_SC-10604 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 PHBB_SC-01916 [1,0,0,0,0,0|0,0,2]=3 6 B15R1.5822 NC1=CC(Cl)=C(C(=O)NCC(=O)O)C=C1 PHBB_SC-05548 [0,1,0,0,0,0|2,0,0]=3 7 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 PHBB_NC-01702 [0,0,0,1,0,0|2,0,0]=3 8 B15R2.6 O=C(O)CCC1=NN=C2C=CC=CN21 PHBB_SC-05340 [0,0,0,1,0,0|3,0,0]=4 9 B15R2.6 O=C(O)CCN1C=NC2=CC=CC=C21 PHBB_SC-00627 [0,0,0,1,0,0|3,0,0]=4 10 B15R2.629 O=C(O)CN1CC2=CC=CC=C2C1=O PHBB_SC-04601 [0,0,0,1,0,0|2,0,0]=3 11 B15R2.629 O=C(O)CN1SC2=CC=CC=C2C1=O PHBB_SC-04635 [0,0,0,1,0,0|1,1,0]=3 12 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 PHBB_NC-01693 [0,0,0,1,0,0|0,0,2]=3 13 B13R1.201 NC(CC(=O)O)C1=C(Cl)C=CC=C1 PHBB_SC-04478 [0,0,0,0,1,0|2,0,1]=4 14 B15R1.8019 CC(C)CCOC(=O)C1=CC=CC=C1O PHBB_NC-03319 [0,0,0,0,0,1|2,0,1]=4 15 B15R1.8019 NC1=C(C(=O)NCCC(=O)O)C=CC=C1 PHBB_NC-02103 [0,0,0,0,0,1|1,0,0]=2 16 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PHBB_SC-05040 [2,0,0,0,0,0|1,0,1]=4 17 B12R1.252 O=C(O)CSCC1=CC=CC=C1 PHBB_SC-04791 [2,0,0,0,0,0|1,0,1]=4 18 B14R1.149 NC1=CC(C(=O)NCC(=O)O)=CC=C1 PHBB_NC-02100 [1,1,0,0,0,0|1,0,0]=3 19 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 PHBB_NC-00326 [1,1,0,0,0,0|1,0,0]=3 20 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 PHBB_SC-07014 [1,1,0,0,0,0|0,0,0]=2 21 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 PHBB_SC-04088 [1,1,0,0,0,0|0,0,0]=2 22 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 PHBB_SC-02271 [1,1,0,0,0,0|1,0,0]=3 23 B14R1.840 COC1=C(C(=O)CC(C)=O)C=CC=C1 PHBB_SC-11397 [0,1,0,0,1,0|1,0,0]=3 24 B16R1.11232 CC1=CC=CC(C)=C1NC(=O)CCC(=O)O PHBB_SC-08575 [0,1,0,0,0,1|1,0,0]=3 25 B16R1.7492 NC1=CC(C(=O)NCCC(=O)O)=C(Cl)C=C1 PHBB_SC-09678 [0,1,0,0,0,1|1,0,0]=3 26 B16R1.11442 NC1=CC(Cl)=C(C(=O)NCCC(=O)O)C=C1 PHBB_SC-05549 [0,1,0,0,0,1|1,0,0]=3 27 B16R1.40243 O=C(O)CCS(=O)(=O)C1=CC(Cl)=CC=C1Cl PHBB_SC-08537 [0,2,0,0,0,0|2,0,0]=4 28 B14R2.287 O=C1CNC(=O)C2=CC=CC=C2N1 PHBB_NC-02058 [1,0,0,1,0,0|2,0,0]=4 29 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 PHBB_NC-01935 [1,0,0,1,0,0|2,0,0]=4 30 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 PHBB_SC-06640 [1,0,0,1,0,0|2,0,0]=4 31 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 PHBB_SC-02173 [1,0,0,1,0,0|1,0,0]=3 32 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 PHBB_NC-00343 [0,0,0,1,1,0|2,0,0]=4 33 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 PHBB_SC-06913 [0,0,0,1,1,0|1,0,1]=4 34 B16R2.3989 NC(=O)C[C@@H]1NC2=CC=CC=C2NC1=O PHBB_SC-02512 [0,0,0,1,0,1|2,0,0]=4 35 B16R2.3989 O=C(O)CC1OC2=C(C=CC=C2)NC1=O PHBB_SC-08626 [0,0,0,1,0,1|0,0,0]=2 36 B16R2.3989 O=C(O)CC1SC2=C(C=CC=C2)NC1=O PHBB_SC-08614 [0,0,0,1,0,1|0,1,0]=3 37 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 PHBB_NC-03309 [0,0,0,1,0,1|2,0,0]=4 38 B16R2.3270 O=C(O)[C@@H]1CSC(C2=CC=CC=C2O)N1 PHBB_SC-07800 [0,0,0,1,0,1|1,0,1]=4 39 B16R2.3356 O=C(O)CCN1CC2=C(C=CC=C2)C1=O PHBB_SC-06570 [0,0,0,1,0,1|1,0,0]=3 40 B16R2.3356 O=C(O)CCN1SC2=CC=CC=C2C1=O PHBB_SC-08727 [0,0,0,1,0,1|0,1,0]=3 41 B16R2.83538 O=C(O)CN1N=CC2=C(C=CC=C2)C1=O PHBB_SC-07981 [0,1,0,1,0,0|2,0,0]=4 42 B16R2.179941 O=C(O)CCC1=C2C=CC=CC2=CC=C1 PHBB_SC-05866 [0,1,0,1,0,0|2,0,0]=4 43 B16R2.12 CC(CC1=CNC2=CC=CC=C12)C(=O)O PHBB_SC-06899 [0,1,0,1,0,0|2,0,0]=4 44 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O PHBB_NC-01765 [0,1,0,1,0,0|2,0,0]=4 45 B16R2.3355 C[C@@H](C(=O)O)N1SC2=CC=CC=C2C1=O PHBB_SC-05333 [0,1,0,1,0,0|1,1,0]=4 46 B16R2.33887 COC(=O)C1=CC(=O)C2=CC=CC=C2O1 PHBB_NC-03034 [0,1,0,1,0,0|0,0,2]=4 47 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Br)=C2)O1 PHBB_SC-07475 [0,1,0,1,0,0|0,0,2]=4 48 B16R2.23501 O=C(O)C1=CC(=O)C2=C(C=CC(Cl)=C2)O1 PHBB_SC-02988 [0,1,0,1,0,0|0,0,2]=4 49 B16R2.4003 O=C(O)CCC1C(=O)NC2=CC=CC=C21 PHBB_NC-01761 [0,1,0,1,0,0|1,0,1]=4 50 B16R2.4003 O=C(O)CCN1C(=O)OC2=C1C=CC=C2 PHBB_NC-01699 [0,1,0,1,0,0|1,0,0]=3 51 B16R2.4003 O=C(O)CCN1C(=O)SC2=C1C=CC=C2 PHBB_SC-04536 [0,1,0,1,0,0|1,1,0]=4 52 B16R2.4003 O=C(O)CCN1C(=S)OC2=C1C=CC=C2 PHBB_SC-00009 [0,1,0,1,0,0|1,1,0]=4 53 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 PHBB_SC-06662 [1,0,0,0,1,0|1,0,0]=3 54 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 PHBB_SC-01239 [1,0,0,0,1,0|1,0,0]=3 55 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 PHBB_NC-01892 [1,0,0,0,1,0|1,0,1]=4 56 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 PHBB_SC-06228 [1,0,0,0,1,0|1,0,0]=3 57 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 PHBB_SC-08515 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 PHBB_SC-05592 [1,0,0,0,1,0|2,0,0]=4 59 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 PHBB_NC-02010 [1,0,0,0,1,0|0,0,1]=3