0 B13R1.3 COC1=CC=C(CC[C@H](C)N)C=C1 77434 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.3 COC1=CC=C(OC[C@H](C)O)C=C1 D91437 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.3 COC1=CC=C(\C=C/C(=O)O)C=C1 F11299 [0,0,0,0,0,0|2,0,1]=3 3 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 D87771 [0,0,0,0,0,0|2,0,1]=3 4 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 AC4457 [0,0,0,0,0,0|3,1,0]=4 5 B13R1.3 N#CC1=CC=C(CNC(N)=O)C=C1 E71668 [0,0,0,0,0,0|4,0,0]=4 6 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 D78576 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 D78577 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 F20951 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 CL8805 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 D97320 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 D90832 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.71 COC1=CC=C(CN=[N+]=[N-])C=C1 D87636 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.71 COC1=CC=C(CNC#N)C=C1 E72121 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.2 CSC1=CC=C([C@@H](N)CC(=O)O)C=C1 N10809 [0,1,0,0,0,0|2,1,0]=4 15 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50315 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 A50365 [0,1,0,0,0,0|3,0,0]=4 17 B14R1.3 COC1=CC=C(CC(=O)C(=O)O)C=C1 A50663 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.3 COC1=CC=C(C[C@H](N)C(=O)O)C=C1 N12112 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.3 COC1=CC=C(O[C@@H](C)C(=O)[O-])C=C1 F20512 [0,1,0,0,0,0|3,0,0]=4 20 B14R1.3 COC1=CC=C(\C=C(/C)C(=O)O)C=C1 W18287 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 N11731 [0,1,0,0,0,0|1,0,0]=2 22 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 71405 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 23056 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.419 CC(C)C1=CC=C(CCC(=O)O)C=C1 F52866 [0,1,0,0,0,0|3,0,0]=4 25 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 F52914 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.3653 COC1=C(O)C=C(CCC(=O)O)C=C1 A50644 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.4 CNC1=CC=C(NC(C)=O)C=C1 D80930 [0,0,0,0,1,0|2,0,0]=3 28 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 71303 [0,0,0,0,1,0|2,0,0]=3 29 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 D97658 [0,0,0,0,1,0|2,0,0]=3 30 B12R1.4 CSC1=CC=C(NC(C)=O)C=C1 L10171 [0,0,0,0,1,0|1,1,0]=3 31 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 D72888 [0,0,0,0,1,0|3,0,0]=4 32 B14R1.4 COC1=CC=C(SCCC(=O)O)C=C1 90742 [0,0,0,0,0,1|2,0,0]=3 33 B14R1.4 CSC1=CC=C(OCCC(=O)O)C=C1 AC4952 [0,0,0,0,0,1|2,1,0]=4 34 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.83 COC1=CC=C(CCN)C=C1 30800 [2,0,0,0,0,0|1,0,1]=4 37 B13R1.132 CC(=O)N[C@@H](C)C1=CC=C(Br)C=C1 W11920 [1,1,0,0,0,0|2,0,0]=4 38 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(O)C=C1 D81237 [1,1,0,0,0,0|2,0,0]=4 39 B13R1.164 CC1=CC(F)=C(CCC(=O)O)C=C1 F52889 [1,1,0,0,0,0|2,0,0]=4 40 B13R1.511 CC1=C(Cl)C=C(CCC(=O)O)C=C1 F52884 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.5 CN[C@@H](C)CC1=CC=C(OC)C=C1 N10879 [1,1,0,0,0,0|2,0,0]=4 42 B13R1.36 CCC1=CC=C([C@@H](N)C(=O)O)C=C1 N12432 [0,1,0,0,1,0|2,0,0]=4 43 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 T71814 [0,1,0,0,1,0|2,0,0]=4 44 B13R1.585 CC(=O)C1=CC=C(CC(=O)O)C=C1 A50571 [0,1,0,0,1,0|2,0,0]=4 45 B13R1.585 CC(=O)NC1=CC=C(C(C)C)C=C1 58556 [0,1,0,0,1,0|2,0,0]=4 46 B15R1.15 CCOC1=CC=C([C@@H](N)CC(=O)O)C=C1 N12092 [0,2,0,0,0,0|2,0,0]=4 47 B15R1.3776 COC1=C(O)C=C([C@@H](N)CC(=O)O)C=C1 62466 [0,2,0,0,0,0|2,0,0]=4 48 B15R1.793 CCOC(=O)COC1=CC=C(OC)C=C1 D78578 [0,2,0,0,0,0|2,0,0]=4 49 B15R1.499 CC(=O)OCC1=CC=C(OC(C)=O)C=C1 AC5821 [0,2,0,0,0,0|0,0,0]=2 50 B15R1.499 CC(C)OC1=CC=C(CCC(=O)O)C=C1 F21179 [0,2,0,0,0,0|2,0,0]=4 51 B15R1.944 COC(=O)C1=CC=C(COC(C)=O)C=C1 AC5783 [0,2,0,0,0,0|0,0,0]=2 52 B13R2.57 COC1=CC2=C(C=C1)CCCC2 Y10210 [1,0,0,1,0,0|1,0,1]=4 53 B13R2.2121 COC1=CC2=C(C=C1)[Se]C(C)=N2 D91549 [0,0,0,1,1,0|1,1,0]=4 54 B15R2.7688 CC(=O)OCC1=CC2=C(C=C1)OCO2 S11733 [0,1,0,1,0,0|0,0,0]=2 55 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 D91021 [1,0,0,0,1,0|0,0,0]=2 56 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 D88481 [1,0,0,0,1,0|1,1,0]=4 57 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 AC5981 [1,0,0,0,1,0|1,0,0]=3 58 B11R1.20 O=C(Cl)CC1=CC=C(Cl)C=C1 S10930 [1,0,0,0,1,0|2,0,0]=4 59 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 28966 [1,0,0,0,1,0|2,0,0]=4 60 B11R1.3 C=CC1=CC=C(C(C)=O)C=C1 E72714 [0,0,0,0,2,0|1,0,1]=4 61 B11R1.3 COC1=CC=C(C(N)=S)C=C1 A10489 [0,0,0,0,2,0|1,1,0]=4 62 B11R1.3 COC1=CC=C([S@](C)=O)C=C1 W16290 [0,0,0,0,2,0|1,0,0]=3 63 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 90749 [1,0,0,0,0,1|2,0,0]=4