0 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 BB_NC-01538 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O BB_NC-01070 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.511 CC(=O)OCC1=CC(=O)C(O)=CO1 BB_NC-03212 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 BB_NC-02271 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 BB_NC-02102 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 BB_NC-02329 [1,0,0,0,0,0|1,0,2]=4 6 B15R1.12854 COC1=CC=C(CCC(=O)O)C=C1OC BB_NC-01359 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.12854 COC1=CC=C(\C=C\C(=O)O)C=C1OC BB_NC-00397 [0,1,0,0,0,0|1,0,2]=4 8 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 BB_NC-01376 [0,0,0,1,0,0|0,0,0]=1 9 B15R2.7688 N=C(N)NCC1=CC=C2OCOC2=C1 BB_SC-05651 [0,0,0,1,0,0|3,0,0]=4 10 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCC2 BB_NC-02759 [0,0,0,1,0,0|2,0,0]=3 11 B15R2.7688 O=C(O)COC1=CC2=C(C=C1)OCO2 BB_NC-02109 [0,0,0,1,0,0|2,0,0]=3 12 B15R2.7688 O=C(O)\C=C\C1=CC2=C(C=C1)OCO2 BB_NC-00418 [0,0,0,1,0,0|1,0,2]=4 13 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BB_NC-00186 [2,0,0,0,0,0|0,0,0]=2 14 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB_NC-02824 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BB_NC-00339 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB_NC-02990 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 BB_SC-03069 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BB_SC-11395 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 BB_NC-00470 [2,0,0,0,0,0|0,0,1]=3 20 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB_NC-00503 [2,0,0,0,0,0|0,0,0]=2 21 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O BB_NC-01739 [1,1,0,0,0,0|1,0,0]=3 22 B14R1.686 [C@H](N)(CC1=CC(N)=C(O)C=C1)C(=O)O BB_NC-02024 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.793 CNCCC1=CC(OC)=C(OC)C=C1 BB_SC-02885 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.77 COC(=O)CNC1=CC=CC(OC)=C1 BB_SC-08636 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.705 CC(=O)NC1=CC=C(O)C(C(C)=O)=C1 BB_SC-07276 [0,1,0,0,1,0|2,0,0]=4 26 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC BB_NC-02258 [0,1,0,0,1,0|0,0,0]=2 27 B16R1.4275 COC1=CC=C(CNCC(=O)O)C=C1OC BB_NC-02557 [0,1,0,0,0,1|1,0,0]=3 28 B16R1.4275 COC1=CC=C(CNCC(C)O)C=C1OC BB_SC-01144 [0,1,0,0,0,1|0,0,2]=4 29 B16R1.4273 COC1=CC=C(C(N)CC(=O)O)C=C1OC BB_NC-00841 [0,2,0,0,0,0|1,0,0]=3 30 B16R1.4276 COC(=O)CNC1=CC=C(OC)C(OC)=C1 BB_SC-10476 [0,2,0,0,0,0|1,0,0]=3 31 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 BB_NC-02835 [0,0,0,1,1,0|2,0,0]=4 32 B16R2.11587 NC(CC(=O)O)C1=CC2=C(C=C1)OCO2 BB_SC-06341 [0,1,0,1,0,0|1,0,0]=3 33 B16R2.1357 NCC(=O)NCC1=CC2=C(C=C1)OCO2 BB_SC-08730 [0,1,0,1,0,0|1,0,0]=3 34 B16R2.1461 COC1=C(OC)C=C2CC[N+](C)=CC2=C1 BB_NC-03308 [0,1,0,1,0,0|2,0,0]=4 35 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BB_NC-02254 [0,0,0,0,2,0|1,0,0]=3 36 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BB_NC-02250 [0,0,0,0,2,0|0,0,0]=2