0 B15R2.4190 CCC1=C(C(C)=O)OC2=C1C=CC=C2 D73266 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.4190 CCN1C(C(=O)O)=CC2=C1C=CC=C2 AT23476 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.4190 COC1=C(C(=O)O)OC2=C1C=CC=C2 75862 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.450 CC(=O)C1=C(N)C2=C(C=CC=C2)O1 D72541 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.450 CC(=O)C1=C(O)C2=C(C=CC=C2)O1 D73268 [1,0,0,0,0,0|2,0,1]=4 5 B14R2.450 CC1=C(C(=O)Cl)SC2=C1C=CC=C2 A11319 [1,0,0,0,0,0|2,0,1]=4 6 B14R2.450 NC1=C(C(=O)O)N=C2C=CC=CN21 58232 [1,0,0,0,0,0|2,0,1]=4 7 B14R2.450 NC1=C(C(=O)O)OC2=C1C=CC=N2 N13338 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.450 NC1=C(C(=O)O)SC2=C1N=CC=C2 89769 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.450 O=C(O)C1=C(O)C2=C(C=CC=C2)N1 D78597 [1,0,0,0,0,0|0,0,1]=2 10 B16R2.6152 COC(=O)C1=C(CBr)C2=C(C=CC=C2)S1 C11304 [0,1,0,0,0,0|2,0,1]=4 11 B16R2.11036 CCC1=C(C(=O)O)NC2=C1C=C(Cl)C=C2 AT16323 [0,1,0,0,0,0|1,0,1]=3 12 B16R2.27456 CC(=O)N1C(C(=O)O)=CC2=C1C=CC=C2 C12311 [0,1,0,0,0,0|2,0,0]=3 13 B16R2.27456 CC(=O)N1C2=C(C=CC=C2)C[C@H]1C(=O)O D72449 [0,1,0,0,0,0|2,0,1]=4 14 B16R3.3329 NC1=C2NC3=C(C=CC=C3)C2=CC=C1 51070 [0,0,0,1,0,0|3,0,0]=4 15 B16R3.3329 OC1=C2NC3=C(C=CC=C3)C2=CC=C1 D72061 [0,0,0,1,0,0|2,0,0]=3 16 B16R2.1612 COC1=NC2=CC=CC=C2C=C1C(=O)O AT15962 [0,0,0,0,0,1|3,0,0]=4 17 B13R2.45 O=CC1=C(Br)C2=C(C=CC=C2)N1 54475 [2,0,0,0,0,0|1,0,0]=3 18 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)C1 AC9120 [2,0,0,0,0,0|2,0,0]=4 19 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)O1 D76647 [2,0,0,0,0,0|2,0,0]=4 20 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 O10413 [2,0,0,0,0,0|1,0,0]=3 21 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)O1 AT21741 [2,0,0,0,0,0|2,0,0]=4 22 B13R2.135 O=CC1=C(Br)SC2=C1C=CC=C2 C75017 [2,0,0,0,0,0|2,0,0]=4 23 B13R2.135 O=CC1=C(Cl)CC2=C1C=CC=C2 AC9182 [2,0,0,0,0,0|2,0,0]=4 24 B15R2.1592 COC(=O)C1=C(C)C2=C(C=CC=C2)O1 84765 [1,1,0,0,0,0|1,0,1]=4 25 B15R2.1592 COC(=O)C1=C(Cl)C2=C(C=CC=C2)N1 AT15691 [1,1,0,0,0,0|1,0,0]=3 26 B15R2.1592 COC(=O)C1=C(O)C2=C(C=CC=C2)O1 AC6270 [1,1,0,0,0,0|1,0,1]=4 27 B15R2.7203 CC1=C(C(=O)O)NC2=C1C=C(F)C=C2 87158 [1,1,0,0,0,0|0,0,1]=3 28 B15R2.7203 CC1=CC2=C(C=C1)OC(C(=O)O)=C2C F20887 [1,1,0,0,0,0|1,0,1]=4 29 B15R2.13463 CC1=C(C(=O)O)NC2=C(Cl)C=CC=C12 A12125 [1,1,0,0,0,0|0,0,1]=3 30 B15R2.14758 CC1=C(C(=O)O)OC2=C1C=CC(Br)=C2 98467 [1,1,0,0,0,0|1,0,1]=4 31 B17R2.45199 O=C(O)C1=C([N+](=O)[O-])C2=CC=CC=C2C=C1 W11771 [0,1,0,0,0,1|2,0,0]=4 32 B17R2.44663 O=C(O)CC1=NN2C=CC=CC2=C1C(=O)O AC4294 [0,1,0,0,0,1|1,0,1]=4 33 B17R2.50009 CCOC(=O)C1=C(CC)C2=C(C=CC=C2)N1 D80179 [0,2,0,0,0,0|1,0,1]=4 34 B17R2.50009 CCOC(=O)C1=C(CN)C2=C(C=CC=C2)N1 AC2305 [0,2,0,0,0,0|1,0,1]=4 35 B17R2.139318 CC1=CC2=C(C=C1)N(C)C(C(=O)O)=C2C=O E71149 [0,2,0,0,0,0|0,0,0]=2 36 B15R2.993 O=C(O)CN1C(I)=CC2=C1C=CC=C2 F18307 [0,0,1,1,0,0|1,0,1]=4 37 B15R2.63 O=C(O)C1=CC=CN1C2=CC=CC=C2 W18272 [0,0,1,1,0,0|1,0,0]=3 38 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 AC5673 [0,0,1,1,0,0|2,0,0]=4 39 B15R2.323 CC1=C(C2=CC=CC=C2)C(=O)OC1=O 71947 [0,0,1,1,0,0|1,0,0]=3 40 B15R2.1255 N[C@@H](C(=O)O)C1=CNC2=C1C=CC=C2 59703 [0,0,1,1,0,0|1,0,1]=4 41 B15R2.1255 N[C@@H](C(=O)O)C1=CNC2=C1C=CC=C2 A50312 [0,0,1,1,0,0|1,0,1]=4 42 B17R3.34304 O=C1OC(=O)C2=C1C=NC3=CC=CC=C32 C15857 [0,0,0,1,0,1|0,0,1]=3 43 B13R2.2334 O=C(O)C1=C(Br)C2=C(N1)SC=C2 L10110 [1,0,0,0,1,0|2,0,0]=4 44 B15R2.627 NC1=C(C(=O)O)N=NC2=CC=CC=C21 97747 [1,0,0,0,0,1|1,0,1]=4 45 B15R2.627 O=C(O)C1=CSC2=NC=CC=C2C1=O D85373 [1,0,0,0,0,1|2,0,0]=4 46 B15R2.629 O=C(O)CN1SC2=C(C=CC=C2)C1=O F20214 [1,0,0,0,0,1|2,0,0]=4