0 B13R1.19 CCNC(=O)NC1=CC=C(Br)C=C1 C12551 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.19 CCOC(=O)CC1=NC=C(C)C=C1 12065 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.19 CCOC(=O)NC1=CC=C(N)C=C1 D96066 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 C91653 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.348 C[C@H](Cl)OC(=O)OC1=CC=CC=C1 A12584 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.513 CC1=CC=C(OCCN(C)C)C=C1 C75405 [1,0,0,0,0,0|1,0,1]=3 7 B15R1.913 CC(C)(C)OC(=O)CC1=CC=C(F)C=C1 20802 [0,1,0,0,0,0|3,0,0]=4 8 B15R1.913 CC(C)(C)OC(=O)CC1=CC=C(N)C=C1 C11000 [0,1,0,0,0,0|3,0,0]=4 9 B15R1.913 CC(C)(C)OC(=O)SC1=CC=C(N)C=C1 A50862 [0,1,0,0,0,0|2,1,0]=4 10 B15R1.913 CC1=NC=C(NC(=O)OC(C)(C)C)C=C1 79584 [0,1,0,0,0,0|3,0,0]=4 11 B13R1.132 CC(=O)CC(=O)C1=CC=C(Br)C=C1 F11171 [0,0,0,0,1,0|2,0,1]=4 12 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 Y11434 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 Y11435 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.133 CC(C)C(=O)CC1=CC=C(F)C=C1 N12781 [0,0,0,0,1,0|2,0,0]=3 15 B13R1.133 CC(C)C(=O)NC1=CC=C(Br)C=C1 A12789 [0,0,0,0,1,0|2,0,0]=3 16 B13R1.133 CN(C)C(=O)CC1=CC=C(N)C=C1 L10071 [0,0,0,0,1,0|3,0,0]=4 17 B15R1.111 CC(C)COC(=O)NC1=CC=C(I)C=C1 W13120 [0,0,0,0,0,1|2,0,0]=3 18 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [2,0,0,0,0,0|1,0,0]=3 24 B14R1.954 COC1=CC=C(NC(=O)CCCl)C=C1 57487 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.2 CC(C)NC(=O)C1=CC=C(C=O)C=C1 25338 [0,1,0,0,1,0|1,0,1]=4 26 B14R1.3 C#CC1=CC=C(NC(=O)C(C)C)C=C1 AC2945 [0,1,0,0,1,0|1,0,1]=4 27 B14R1.3 CN(C)C(=O)OC1=CC=C(C=O)C=C1 W17131 [0,1,0,0,1,0|1,0,1]=4 28 B14R1.3 COC1=CC=C(CC(=O)C(C)C)C=C1 N14180 [0,1,0,0,1,0|1,0,0]=3 29 B16R1.4 CC(C)COC(=O)NC1=CC=C(CO)C=C1 F52664 [0,1,0,0,0,1|1,0,0]=3 30 B16R1.200 CC(C)(C)OC(=O)NC1=CC=C(CCl)C=C1 A10707 [0,2,0,0,0,0|2,0,0]=4 31 B16R1.7180 CCOC1=CC=C(NC(=O)C[C@H](C)O)C=C1 C71309 [0,2,0,0,0,0|2,0,0]=4 32 B16R1.1033 CC1=C(Cl)C=C(NC(=O)OC(C)(C)C)C=C1 A11810 [0,2,0,0,0,0|2,0,0]=4 33 B14R2.926 NC1=CC=C(N2CCCC2=O)C=C1 W10065 [1,0,0,1,0,0|2,0,0]=4 34 B14R2.926 O=C1CCCN1C2=CC=C(Cl)C=C2 W12980 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.926 O=C1CCCN1C2=CC=C(F)C=C2 F13161 [1,0,0,1,0,0|2,0,0]=4 36 B14R2.7974 O=C1CCCC2=C(C=CC(Br)=C2)N1 P19143 [1,0,0,1,0,0|2,0,0]=4 37 B14R2.8235 C[C@H]1CC(=O)NC2=C1C=C(Cl)C=C2 P16869 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.642 CC(C)[C@@H]1C(=O)NC2=C1C=CC=C2 W18023 [1,0,0,1,0,0|1,0,0]=3 39 B14R2.933 O=C(CC1CC1)C2=CC=C(Cl)C=C2 W12948 [0,0,0,1,1,0|1,0,0]=3 40 B14R2.8732 CC1(C)CC(=O)C2=C1C=C(Br)C=C2 F12557 [0,0,0,1,1,0|1,0,0]=3 41 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Br)C=C2 P14144 [0,0,0,1,1,0|2,0,0]=4 42 B14R2.4507 CC1(C)C(=O)NC2=C1C=C(Br)C=C2 85462 [0,0,0,1,1,0|2,0,0]=4 43 B14R2.4507 CC1(C)C(=O)NC2=C1C=C(O)C=C2 I11646 [0,0,0,1,1,0|2,0,0]=4 44 B14R2.8239 CN1CC2=C(C=CC(Br)=C2)OC1=O D83433 [0,0,0,1,1,0|2,0,0]=4 45 B14R2.8239 C[C@H]1CC2=C(C=CC(Cl)=C2)NC1=O P16868 [0,0,0,1,1,0|2,0,0]=4 46 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [1,0,0,0,1,0|1,0,0]=3 47 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [1,0,0,0,1,0|0,0,0]=2 48 B12R1.16 CCCC(=O)C1=CN=C(Cl)C=C1 N14275 [1,0,0,0,1,0|2,0,0]=4 49 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [1,0,0,0,1,0|1,0,1]=4 50 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [1,0,0,0,1,0|1,0,1]=4 51 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 D77688 [1,0,0,0,1,0|2,0,0]=4 52 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [1,0,0,0,1,0|2,0,0]=4 53 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [1,0,0,0,1,0|2,0,0]=4 54 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [1,0,0,0,1,0|1,0,1]=4 55 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [1,0,0,0,1,0|1,0,1]=4 56 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [1,0,0,0,1,0|1,0,1]=4 57 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [1,0,0,0,1,0|1,0,1]=4 58 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [1,0,0,0,1,0|1,0,1]=4 59 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [1,0,0,0,1,0|1,0,0]=3 60 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [0,0,0,0,2,0|1,0,0]=3 61 B12R1.20 CC1=CC=C(C(=O)C(Br)Br)C=C1 D93381 [0,0,0,0,2,0|2,0,0]=4 62 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [0,0,0,0,2,0|0,0,0]=2 63 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 W17856 [0,0,0,0,2,0|2,0,0]=4 64 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [0,0,0,0,2,0|1,0,1]=4 65 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [0,0,0,0,2,0|1,0,1]=4 66 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 C75974 [0,0,0,0,2,0|2,0,0]=4 67 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [0,0,0,0,2,0|2,0,0]=4 68 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [0,0,0,0,2,0|2,0,0]=4 69 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 W18870 [1,0,0,0,0,1|2,0,0]=4 70 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 C11637 [1,0,0,0,0,1|2,0,0]=4 71 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 W16282 [1,0,0,0,0,1|2,0,0]=4