0 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BB_NC-02171 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.3 COC1=CC=C(CNC(=N)N)C=C1 BB_SC-04471 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.3 COC1=CC=C(CNC(N)=S)C=C1 BB_SC-07769 [0,0,0,0,0,0|2,1,0]=3 3 B13R1.3 COC1=CC=C(COC(C)=O)C=C1 BB_NC-02807 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BB_NC-02453 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BB_NC-02252 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 BB_SC-00478 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.21 CC(=O)\C=C\C1=CC=[N+](C)C=C1 BB_NC-00222 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB_NC-02824 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BB_NC-02249 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.71 COC1=CC=C(CN=C=S)C=C1 BB_NC-02790 [1,0,0,0,0,0|1,1,1]=4 14 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 BB_NC-02135 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 BB_NC-02368 [0,1,0,0,0,0|2,1,0]=4 16 B14R1.3 [C@H](N)(CC1=CC=C(OC)C=C1)C(=O)O BB_NC-02034 [0,1,0,0,0,0|2,0,0]=3 17 B14R1.5 COC(=O)CNC1=CC=C(OC)C=C1 BB_SC-08643 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.5 COC1=CC=C(CNC(=O)CN)C=C1 BB_SC-08046 [0,1,0,0,0,0|1,0,0]=2 19 B14R1.419 CC(=O)\C=C\C1=CC=C(N(C)C)C=C1 BB_SC-00132 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.3653 COC1=CC=C(\C=C\C(=O)O)C=C1O BB_NC-03267 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 BB_SC-05067 [0,0,0,1,0,0|2,0,1]=4 22 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 BB_SC-01598 [0,0,0,0,1,0|1,0,0]=2 23 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 BB_NC-02170 [0,0,0,0,1,0|0,0,0]=1 24 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BB_SC-06690 [0,0,0,0,1,0|2,0,0]=3 25 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 BB_NC-02558 [0,0,0,0,0,1|2,0,0]=3 26 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 BB_SC-09522 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.91 CC(=O)CCC1=CC=CC=C1 BB_SC-06936 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 BB_SC-12727 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB_SC-06484 [2,0,0,0,0,0|2,0,0]=4 30 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BB_SC-07201 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.91 O=C(O)CCC1=CC=CC=C1 BB_NC-02055 [2,0,0,0,0,0|2,0,0]=4 32 B11R1.83 COC1=CC=C(CCCl)C=C1 BB_SC-07143 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.83 COC1=CC=C(CCN)C=C1 BB_NC-02181 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.83 COC1=CC=C(CCO)C=C1 BB_SC-09388 [2,0,0,0,0,0|0,0,2]=4 35 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 BB_NC-00676 [2,0,0,0,0,0|0,0,1]=3 36 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 BB_NC-02825 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O BB_NC-01194 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.164 O=C(O)CCC1=CC=C(O)C=C1O BB_NC-02483 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.511 CC(=O)OCC1=CC(=O)C(O)=CO1 BB_NC-03212 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 BB_NC-02271 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.35 COC1=C(Br)C=C(CC(=O)O)C=C1 BB_SC-06680 [0,1,0,0,1,0|1,0,0]=3 42 B13R1.36 COC1=CC=C(C(N)C(C)C)C=C1 BB_NC-02843 [0,1,0,0,1,0|1,0,1]=4 43 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 BB_SC-07268 [0,1,0,0,1,0|1,0,0]=3 44 B13R1.585 CC(=O)OC1=CC=C(C(C)=O)C=C1 BB_SC-06953 [0,1,0,0,1,0|1,0,0]=3 45 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 BB_NC-01364 [0,1,0,0,1,0|2,0,0]=4 46 B15R1.206 COC(=O)CCNC1=CC=C(OC)C=C1 BB_SC-09687 [0,1,0,0,0,1|1,0,0]=3 47 B15R1.3776 COC1=CC=C(C(N)CC(=O)O)C=C1O BB_NC-02686 [0,2,0,0,0,0|2,0,0]=4 48 B15R1.208 COC1=CC=C(CC(OC)C(=O)O)C=C1 BB_NC-02855 [0,2,0,0,0,0|2,0,0]=4 49 B15R1.499 CC(=O)CCC1=CC=C(OC(C)=O)C=C1 BB_NC-01329 [0,2,0,0,0,0|1,0,0]=3 50 B15R1.499 CC(C)OC1=CC=C(CCC(=O)O)C=C1 BB_NC-02436 [0,2,0,0,0,0|2,0,0]=4 51 B15R1.12854 COC1=CC=C(CCC(=O)O)C=C1OC BB_NC-01359 [0,2,0,0,0,0|2,0,0]=4 52 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 BB_SC-04608 [1,0,0,1,0,0|2,0,0]=4 53 B15R2.2 COC1=CC=C(C2CC(=O)NN2)C=C1 BB_SC-10113 [0,0,0,1,0,1|1,0,0]=3 54 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 BB_NC-01376 [0,1,0,1,0,0|1,0,0]=3 55 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 BB_NC-02759 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 BB_SC-07000 [1,0,0,0,1,0|2,0,0]=4 57 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 BB_SC-07122 [1,0,0,0,1,0|1,0,0]=3 58 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BB_NC-02327 [1,0,0,0,1,0|1,0,0]=3 59 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB_NC-00007 [1,0,0,0,1,0|2,0,0]=4 60 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 BB_SC-07389 [1,0,0,0,1,0|2,0,0]=4 61 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BB_NC-02267 [1,0,0,0,1,0|1,0,0]=3 62 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 BB_SC-06916 [0,0,0,0,2,0|2,0,0]=4 63 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BB_SC-06870 [0,0,0,0,2,0|2,0,0]=4 64 B11R1.3 CCC1=CC=C(C(C)=O)C=C1 BB_SC-07129 [0,0,0,0,2,0|1,0,0]=3 65 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 BB_SC-06994 [0,0,0,0,2,0|1,0,0]=3 66 B11R1.3 COC1=CC=C(C(=O)O)C=N1 BB_SC-04906 [0,0,0,0,2,0|2,0,0]=4 67 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 BB_SC-02991 [0,0,0,0,2,0|0,1,0]=3 68 B15R1.4 COC1=CC=C(CNCCC(=O)O)C=C1 BB_NC-02618 [0,0,0,0,0,2|2,0,0]=4