0 B14R1.42 COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 9265AB [0,0,0,0,0,0|2,0,2]=4 1 B13R1.511 CC1=CC(OCC(=O)O)=CC=C1Cl 6151AE [1,0,0,0,0,0|3,0,0]=4 2 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C 8413AD [1,0,0,0,0,0|2,0,0]=3 3 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 W9037 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.575 COC1=C(O)C=CC(CCCO)=C1 1487AB [1,0,0,0,0,0|0,0,2]=3 5 B13R1.643 COC1=CC(CNC(N)=S)=CC=C1 2762AF [1,0,0,0,0,0|2,1,0]=4 6 B13R1.643 COC1=CC=CC(OCC(C)O)=C1 4283AL [1,0,0,0,0,0|1,0,2]=4 7 B15R1.392 COC1=C(O)C(Br)=CC(\C=C\C(=O)O)=C1 Y9843 [0,1,0,0,0,0|1,0,2]=4 8 B15R1.4039 COC(=O)CCC1=CC=C(O)C(OC)=C1 8223AL [0,1,0,0,0,0|0,0,0]=1 9 B15R1.12854 COC1=CC(OCC(=O)O)=CC=C1C=O Z5982 [0,1,0,0,0,0|2,0,1]=4 10 B15R1.12854 COC1=CC=C(SCC(=O)O)C=C1OC 4434AF [0,1,0,0,0,0|2,0,0]=3 11 B13R1.52 COC1=CC(CC(=O)O)=CC=C1F X2685 [0,0,0,0,1,0|2,0,0]=3 12 B13R1.52 COC1=CC(CC(C)=O)=CC=C1O L729 [0,0,0,0,1,0|0,0,0]=1 13 B13R1.52 COC1=CC(NC(C)=O)=CC=C1Cl V9910 [0,0,0,0,1,0|2,0,0]=3 14 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 0827AD [2,0,0,0,0,0|2,0,0]=4 15 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 5686AF [2,0,0,0,0,0|2,0,0]=4 16 B12R1.226 CC1=CC=CC(OCC(N)=O)=C1 6121AL [2,0,0,0,0,0|2,0,0]=4 17 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 X0194 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F258 [2,0,0,0,0,0|2,0,0]=4 19 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C Q487 [1,1,0,0,0,0|2,0,0]=4 20 B14R1.686 NC(CC1=CC(F)=C(O)C=C1)C(=O)O 2704AE [1,1,0,0,0,0|2,0,0]=4 21 B14R1.686 NC(CC1=CC=C(O)C(Br)=C1)C(=O)O 7964AB [1,1,0,0,0,0|2,0,0]=4 22 B14R1.686 NC(CC1=CC=C(O)C(I)=C1)C(=O)O Z5788 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.686 N[C@H](CC1=CC(Cl)=C(O)C=C1)C(=O)O 5320AH [1,1,0,0,0,0|2,0,0]=4 24 B14R1.686 O=C([O-])C(O)CC1=CC=C(O)C(O)=C1 9071AJ [1,1,0,0,0,0|1,0,0]=3 25 B14R1.686 O=C([O-])[C@H](O)CC1=CC=C(O)C(O)=C1 X1119 [1,1,0,0,0,0|1,0,0]=3 26 B14R1.833 COC(=O)\C=C\C1=CC(O)=C(O)C=C1 4978AB [1,1,0,0,0,0|0,0,2]=4 27 B14R1.3653 COC1=C(Cl)C=C(CCC(=O)O)C=C1 1083AQ [1,1,0,0,0,0|2,0,0]=4 28 B14R1.793 CNCCC1=CC=C(OC)C(OC)=C1 C344 [1,1,0,0,0,0|1,0,0]=3 29 B14R1.74 COC1=CC=CC([C@@H](N)CC(=O)O)=C1 2272AC [1,1,0,0,0,0|1,0,0]=3 30 B14R1.74 COC1=CC=CC([C@H](N)CC(=O)O)=C1 1924AC [1,1,0,0,0,0|1,0,0]=3 31 B14R1.75 COC1=CC(C[C@@H](N)C(=O)O)=CC=C1 W3174 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.75 COC1=CC(C[C@H](N)C(=O)O)=CC=C1 W5546 [1,1,0,0,0,0|1,0,0]=3 33 B14R1.77 C=CC(=O)OCC1=CC=CC(OC)=C1 F346 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.468 CCOC1=CC=CC(CCC(=O)O)=C1 9229AD [1,1,0,0,0,0|1,0,0]=3 35 B14R1.41 COC1=C(O)C=CC(C(O)C(=O)O)=C1 8088AF [0,1,0,0,1,0|1,0,0]=3 36 B14R1.343 COC1=CC(CN(C)C)=CC(F)=C1O Y3577 [0,1,0,0,1,0|2,0,0]=4 37 B14R1.439 CCOC1=CC(CC(=O)O)=CC=C1O 9914AE [0,1,0,0,1,0|1,0,0]=3 38 B14R1.705 CC(=O)NC1=CC=C(O)C(C(C)=O)=C1 Y9932 [0,1,0,0,1,0|2,0,0]=4 39 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC 3095AH [0,1,0,0,1,0|2,0,0]=4 40 B14R1.3651 COC1=CC=C(CC(N)=S)C=C1OC 7750AJ [0,1,0,0,1,0|1,1,0]=4 41 B16R1.4273 COC1=CC=C(C(N)CC(=O)O)C=C1OC X3123 [0,2,0,0,0,0|1,0,0]=3 42 B16R1.4274 COC1=CC=C(C[C@H](N)C(=O)O)C=C1OC W5404 [0,2,0,0,0,0|1,0,0]=3 43 B16R1.9381 CCOC1=C(OC)C=C(CCC(=O)O)C=C1 9459AD [0,2,0,0,0,0|1,0,0]=3 44 B14R2.8239 O=C1CCC2=C(C=C(O)C(Br)=C2)N1 0727AD [1,0,0,1,0,0|2,0,0]=4 45 B14R2.1128 COC1=CC2=C(C=NCC2)C=C1O 6332AB [1,0,0,1,0,0|1,0,1]=4 46 B14R2.2332 COC1=CC=C2NC(=O)CSC2=C1 X6926 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.11684 COC1=CC=CC2=C1CC(=O)CC2 Z2238 [1,0,0,1,0,0|0,0,0]=2 48 B16R2.2324 COC1=CC(C2OCC(C)O2)=CC=C1O 0585AC [0,0,0,1,0,1|0,0,2]=4 49 B16R2.38127 COC1=CC2=C(C=C1N)N(C(C)=O)CC2 Z4463 [0,0,0,1,0,1|1,0,0]=3 50 B16R2.3954 O=C(O)CCC1=CC2=C(C=C1Br)OCO2 1080AQ [0,1,0,1,0,0|1,0,0]=3 51 B16R2.11587 NC(CC(=O)O)C1=CC=C2OCOC2=C1 8676AE [0,1,0,1,0,0|1,0,0]=3 52 B16R2.6257 CC(OC1=CC2=C(C=C1)OCO2)C(=O)O 8327AC [0,1,0,1,0,0|2,0,0]=4 53 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 9119AB [1,0,0,0,1,0|2,0,0]=4 54 B12R1.19 CC(=O)NC1=CC=C(O)C(Cl)=C1 W5998 [1,0,0,0,1,0|2,0,0]=4 55 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 2940AB [1,0,0,0,1,0|1,0,0]=3 56 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N 5220AJ [1,0,0,0,1,0|2,0,0]=4 57 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 W6378 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.438 COC1=CC(NC(N)=O)=CC=C1 W3057 [1,0,0,0,1,0|2,0,0]=4 59 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 7392AE [1,0,0,0,1,0|2,0,0]=4 60 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 9530AD [1,0,0,0,1,0|0,0,0]=2 61 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 1466AE [1,0,0,0,1,0|1,1,0]=4 62 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 6150AE [1,0,0,0,1,0|1,0,0]=3 63 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 X3797 [0,0,0,0,2,0|1,0,0]=3 64 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 9083AD [0,0,0,0,2,0|2,0,0]=4 65 B12R1.56 COC1=C(O)C=CC(C(=O)[O-])=C1 8979AL [0,0,0,0,2,0|1,0,0]=3 66 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 1912AB [0,0,0,0,2,0|0,0,2]=4 67 B12R1.56 COC1=CC(C(=O)O)=CN=C1O Z7814 [0,0,0,0,2,0|2,0,0]=4 68 B12R1.56 COC1=CC(C(C)=O)=CC=C1F W7603 [0,0,0,0,2,0|1,0,0]=3 69 B14R1.76 COC1=CC=CC(CNCC(=O)O)=C1 9272AE [1,0,0,0,0,1|1,0,0]=3