0 B13R1.380 CC(=O)NC1=C(CCO)C=CC=C1 AC6636 [1,0,0,0,0,0|2,0,1]=4 1 B13R1.382 C=CCC1=C(C(=O)NC)C=CC=C1 AC4508 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.382 COC(=O)C1=C(CCN)C=CC=C1 34926 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.589 CC(=O)OC1=C(C(=O)[O-])C=CC=C1 F17349 [1,0,0,0,0,0|1,0,1]=3 4 B15R1.925 COC(=O)C1=C(OC(C)C)C=CC(N)=C1 C91498 [0,1,0,0,0,0|2,0,1]=4 5 B15R1.925 COC(=O)C1=CC(Cl)=NC=C1NC(C)=O E72169 [0,1,0,0,0,0|1,0,0]=2 6 B15R1.3847 COC(=O)C1=C(NC(=O)CBr)C=CC=C1 71402 [0,1,0,0,0,0|0,0,0]=1 7 B15R1.38499 COC(=O)C1=C(NC(C)=O)C(C)=CC=C1 F18181 [0,1,0,0,0,0|0,0,0]=1 8 B15R2.14628 O=C1CC[C@@H](C(=O)O)C2=C1C=CC=C2 71149 [0,0,0,1,0,0|3,0,0]=4 9 B15R2.19309 COC(=O)C1=C2C=C(C)NC2=CC=C1 P15506 [0,0,0,1,0,0|2,0,0]=3 10 B15R2.19309 COC(=O)C1=C2OC(C)=CC2=CC=C1 C91345 [0,0,0,1,0,0|2,0,0]=3 11 B15R2.19309 COC(=O)C1=C2OC(C)=NC2=CC=C1 D86283 [0,0,0,1,0,0|2,0,0]=3 12 B15R2.19309 COC(=O)C1=CC=CC2=C1N=C(Cl)N2 96281 [0,0,0,1,0,0|2,0,1]=4 13 B15R2.19309 COC(=O)C1=CC=CC2=C1NC(=N)S2 W16682 [0,0,0,1,0,0|1,1,0]=3 14 B15R2.19309 COC(=O)C1=CC=CC2=C1SC(Br)=N2 91295 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.49945 CC(=O)NC1=C2C(=O)CCC2=CC=C1 79954 [0,0,0,1,0,0|1,0,0]=2 16 B13R1.547 COC(=O)C1=C(C(=O)O)C=CN=C1 AT17431 [0,0,0,0,1,0|2,0,0]=3 17 B13R1.547 COC(=O)C1=C(C(=O)O)N=CC=C1 AB9542 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.547 COC(=O)C1=C(C(F)F)C=CC=C1 CK2184 [0,0,0,0,1,0|2,0,1]=4 19 B13R1.547 COC(=O)C1=NC=CC=C1C(N)=O AC5704 [0,0,0,0,1,0|2,0,0]=3 20 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 F11411 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.75 COC1=C(NC(C)=S)C=CC=C1 81285 [2,0,0,0,0,0|0,1,0]=3 22 B12R1.75 COC1=CC=CN=C1CC(C)=O F31310 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.77 COC(=O)C1=C(C=O)C=CN=C1 W18508 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.77 COC(=O)C1=C(OC)C=NC=C1 S10378 [2,0,0,0,0,0|2,0,0]=4 25 B14R1.786 CC(=O)NC1=C(OCCBr)C=CC=C1 AC3154 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.746 COC(=N)C1=C(C(=O)OC)C=CC=C1 AC4922 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.789 COCCC1=C(C(=O)OC)C=CC=C1 93001 [1,1,0,0,0,0|1,0,1]=4 28 B14R1.789 CO\C=C\C1=C(C(=O)OC)C=CC=C1 93000 [1,1,0,0,0,0|1,0,0]=3 29 B14R1.3101 C=CCC1=C(C(=O)OC)C=CC=C1O F14163 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.429 O=C(O)C(=O)C1=C(C(=O)O)C=CC=C1 D85948 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.3302 O=C(CF)OC1=C(C(=O)O)C=CC=C1 S11910 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.4894 O=C(O)CC1=C(Cl)C=CC=C1C(=O)O D80061 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.6074 CC(=O)NC1=C(C(=O)O)C=C(C)C=C1 52454 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.6074 CC(=O)NC1=C(C(=O)O)C=C(F)C=C1 AC6220 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.6074 CC(=O)NC1=C(C(C)=O)C=C(Br)C=C1 76694 [1,1,0,0,0,0|0,0,0]=2 36 B14R1.6074 CC(=O)SC1=C(C(=O)O)C=C(Br)C=C1 E71808 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.623 CCOC(=O)C1=C(C(C)=O)N=CC=C1 74538 [0,1,0,0,1,0|1,0,0]=3 38 B14R1.707 COC(=O)C1=C([C@H](C)Br)C=CC(Br)=C1 94185 [0,1,0,0,1,0|1,0,1]=4 39 B14R1.724 COC(=O)C1=C(NC(N)=O)C=C(Br)S1 A50827 [0,1,0,0,1,0|2,0,0]=4 40 B16R1.959 CCOC(=O)C1=C(COC(C)=O)N=CC=C1 O11744 [0,1,0,0,0,1|2,0,0]=4 41 B16R1.16764 COC(=O)C1=C(NS(C)(=O)=O)C=CC(Br)=C1 AB20070 [0,2,0,0,0,0|1,0,0]=3 42 B16R1.76814 COC(=O)C1=CC(C)=C(Cl)C=C1NC(C)=O AC6760 [0,2,0,0,0,0|0,0,0]=2 43 B16R1.174793 COC(=O)C1=C(NC(C)=O)C(C)=CC(Br)=C1 F18020 [0,2,0,0,0,0|0,0,0]=2 44 B14R2.287 CC1=NCC(=O)NC2=C1C=CC=C2 C16257 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.287 O=C1CNC(=O)C2=C(C=CC=C2)N1 30909 [1,0,0,1,0,0|1,0,0]=3 46 B14R2.10782 COC(=O)C1=C2OC=CC2=CC=C1 W19440 [1,0,0,1,0,0|1,0,1]=4 47 B14R2.10782 COC(=O)C1=CC=CC2=C1N=CS2 98409 [1,0,0,1,0,0|0,1,1]=4 48 B14R2.712 CC1=CC2=C(C(=O)O)C=CC=C2N1 P18385 [1,0,0,1,0,0|2,0,0]=4 49 B14R2.712 O=C1NC2=C(N1)C(C(=O)O)=CC=C2 36523 [1,0,0,1,0,0|1,0,0]=3 50 B14R2.7724 CN1NC(=O)C2=C(C=CC=C2)C1=O D74981 [0,0,0,1,1,0|2,0,0]=4 51 B14R2.24350 NC(=O)C1=C2C(=O)CCC2=CC=C1 F52829 [0,0,0,1,1,0|2,0,0]=4 52 B14R2.24350 NC(=O)C1=C2C(=O)NCC2=CC=C1 F17800 [0,0,0,1,1,0|2,0,0]=4 53 B14R2.24350 O=C1OCC2=CC=CC([N+](=O)[O-])=C12 W17593 [0,0,0,1,1,0|2,0,0]=4 54 B16R2.83668 CC1=C(C(=O)O)NC2=C(C=CC=C2)C1=O F50997 [0,0,0,1,0,1|2,0,0]=4 55 B16R2.12129 CC(=O)OC1=C2NC(=O)CCC2=CC=C1 C91135 [0,0,0,1,0,1|2,0,0]=4 56 B16R2.29743 CCOC(=O)C1=CC=CC2=C1NC(=O)C2 95295 [0,1,0,1,0,0|0,0,0]=2 57 B16R2.128840 CN1CC(=O)NC2=C(C=C(Br)C=C2)C1=O 55598 [0,1,0,1,0,0|1,0,0]=3 58 B16R2.128840 CN1CC(=O)NC2=C(C=C(F)C=C2)C1=O 51835 [0,1,0,1,0,0|1,0,0]=3 59 B16R2.173205 COC(=O)C1=C2C=C(C)NC2=CC(Br)=C1 N17043 [0,1,0,1,0,0|2,0,0]=4 60 B16R2.173205 COC(=O)C1=C2NC(=O)CC2=CC(Br)=C1 P17206 [0,1,0,1,0,0|0,0,0]=2 61 B12R1.291 COC(=O)C1=C(NC=O)C=CS1 F53648 [1,0,0,0,1,0|1,0,0]=3 62 B12R1.261 CC(=O)C1=C(C(=O)O)C=CC=N1 O10637 [1,0,0,0,1,0|1,0,0]=3 63 B12R1.368 COC(=O)C1=CSC=C1C(=O)O AT16785 [0,0,0,0,2,0|2,0,0]=4 64 B14R1.4522 CC(=O)C1=C(OCC(=O)O)C=CC=C1 CX1073 [1,0,0,0,0,1|2,0,0]=4 65 B14R1.4522 NC(=O)COC1=C(C(=O)O)C=CC=C1 C80060 [1,0,0,0,0,1|2,0,0]=4 66 B14R1.733 COC(=O)C1=CC=CC(NC(N)=S)=C1 F18324 [0,0,0,0,1,1|1,1,0]=4 67 B14R1.733 COC(=O)C1=CN=CC(NC(C)=O)=C1 D74355 [0,0,0,0,1,1|1,0,0]=3 68 B14R1.733 COC(=O)C1=NC(NC(C)=O)=CC=C1 F17468 [0,0,0,0,1,1|0,0,0]=2