0 B14R1.42 COC1=C(C)C=CC(CCC(=O)O)=C1 F52915 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.511 CC1=C(Br)C=CC(\C=C\C(=O)O)=C1 AT20409 [1,0,0,0,0,0|2,0,0]=3 2 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 N14844 [0,1,0,0,0,0|1,0,2]=4 3 B15R1.4038 COC1=C(O)C=CC(C[C@H](O)C(=O)[O-])=C1 T72929 [0,1,0,0,0,0|1,0,2]=4 4 B15R1.12854 COC1=C(OC)C=C(\C=C\[N+](=O)[O-])C=C1 C91015 [0,1,0,0,0,0|2,0,0]=3 5 B13R1.52 COC1=C(Br)C=CC(CC(=O)O)=C1 98291 [0,0,0,0,1,0|2,0,1]=4 6 B13R1.52 COC1=C(Cl)C=CC(CC(=O)O)=C1 AT23094 [0,0,0,0,1,0|2,0,1]=4 7 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [2,0,0,0,0,0|2,0,0]=4 8 B12R1.385 O=C\C=C\C1=CC(F)=C(F)C=C1 43886 [2,0,0,0,0,0|2,0,0]=4 9 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 C15472 [2,0,0,0,0,0|0,0,2]=4 10 B12R1.382 COC1=CC=CC(CCC=O)=C1 AC6075 [2,0,0,0,0,0|0,0,2]=4 11 B14R1.686 C\C(=C/C1=CC(O)=C(O)C=C1)[N+](=O)[O-] N11812 [1,1,0,0,0,0|2,0,0]=4 12 B14R1.686 O=C(O)C(=O)CC1=CC(O)=C(O)C=C1 F15598 [1,1,0,0,0,0|1,0,1]=4 13 B14R1.833 COC(=O)\C=C\C1=CC(O)=C(N)C=C1 AC7196 [1,1,0,0,0,0|1,0,0]=3 14 B14R1.77 COC1=CC=CC(CNC(=O)CN)=C1 F21042 [1,1,0,0,0,0|1,0,1]=4 15 B14R1.81 COC1=CC=CC(\C=C\C(=O)O)=C1O D87803 [1,1,0,0,0,0|1,0,0]=3 16 B14R1.2335 COC1=CC(\C=C\C(=O)O)=C(O)C=C1 D87796 [1,1,0,0,0,0|1,0,0]=3 17 B14R1.41 COC1=C(Cl)C=CC([C@@H](N)C(C)=O)=C1 N16309 [0,1,0,0,1,0|1,0,1]=4 18 B14R1.41 COC1=C(F)C=CC([C@@H](N)C(C)=O)=C1 N16303 [0,1,0,0,1,0|1,0,1]=4 19 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N12457 [0,1,0,0,1,0|1,0,1]=4 20 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14806 [0,1,0,0,1,0|1,0,1]=4 21 B14R1.41 COC1=C(O)C=CC([C@@H](N)C(=O)O)=C1 N14807 [0,1,0,0,1,0|1,0,1]=4 22 B14R1.3651 COC1=C(OC)C=C(CC(N)=O)C=C1 61355 [0,1,0,0,1,0|1,0,1]=4 23 B16R1.20040 COC1=CC(F)=C(\C=C\C(=O)O)C=C1OC 98318 [0,2,0,0,0,0|1,0,0]=3 24 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N12856 [0,2,0,0,0,0|0,0,2]=4 25 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N14845 [0,2,0,0,0,0|0,0,2]=4 26 B16R1.4730 COC(=O)[C@@H](N)CC1=CC(OC)=C(O)C=C1 N14846 [0,2,0,0,0,0|0,0,2]=4 27 B14R2.4513 CC1=C(F)C=CC2=C1NC(=O)C=C2 AT15321 [1,0,0,1,0,0|2,0,0]=4 28 B14R2.4513 CC1=CC=C2C=CC(Br)=C(C)C2=N1 D80146 [1,0,0,1,0,0|2,0,0]=4 29 B14R2.4513 CC1=CC=C2C=CC(F)=C(O)C2=N1 AC6018 [1,0,0,1,0,0|2,0,0]=4 30 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CO2 H10021 [1,0,0,1,0,0|1,0,1]=4 31 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)N=C2 F15811 [1,0,0,1,0,0|2,0,0]=4 32 B14R2.2332 COC1=CC2=CC=C(C)C=C2C=C1 N14597 [1,0,0,1,0,0|1,0,0]=3 33 B14R2.2332 COC1=CC=C2N=C(F)C=CC2=C1 55499 [1,0,0,1,0,0|2,0,0]=4 34 B14R2.11684 COC1=C2C=C(Cl)C=CC2=CC=C1 N14590 [1,0,0,1,0,0|1,0,1]=4 35 B16R2.1357 COC(=O)\C=C\C1=CC2=C(C=C1)OCO2 W12831 [0,1,0,1,0,0|0,0,0]=2 36 B16R2.1357 COC(=O)\C=C\C1=CC2=C(C=C1)OCO2 W18737 [0,1,0,1,0,0|0,0,0]=2 37 B16R2.1357 NCC(=O)NCC1=CC2=C(C=C1)OCO2 F21061 [0,1,0,1,0,0|1,0,1]=4 38 B16R2.1461 COC1=C(CO)C=C2C=C(Br)C=CC2=C1 97912 [0,1,0,1,0,0|1,0,1]=4 39 B16R2.7475 COC1=CC=C2C=CC(=O)OC2=C1OC F17710 [0,1,0,1,0,0|1,0,0]=3 40 B16R3.10840 O=C1N=CC2=C(C=C3OCOC3=C2)N1 F15829 [0,0,0,2,0,0|2,0,0]=4 41 B12R1.438 COC1=CC=CC(NC(C)=S)=C1 81291 [1,0,0,0,1,0|1,1,0]=4 42 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14804 [0,0,0,0,2,0|1,0,1]=4 43 B12R1.56 COC1=C(O)C=CC([C@H](C)N)=C1 N14805 [0,0,0,0,2,0|1,0,1]=4