0 B16R2.23521 O=C(O)C1=NC2=CC(F)=CC=C2NC1=O 4183AC [0,0,0,0,0,0|2,1,1]=4 1 B15R2.984 CC1=NC2=CC=CC=C2C=C1[N+](=O)[O-] 2124AL [1,0,0,0,0,0|1,0,1]=3 2 B15R2.984 NC1=NC2=CC=CC=C2C=C1C(=O)O 3387AB [1,0,0,0,0,0|1,0,0]=2 3 B15R2.984 OB(O)C1=C(O)N=C2C=CC=CC2=C1 X6511 [1,0,0,0,0,0|2,0,1]=4 4 B15R1.7062 CCOC1=C(\C=C\C(=O)O)C=C(Br)C=C1 5682AD [0,0,1,0,0,0|1,1,1]=4 5 B15R2.14758 O=C(O)C1=C(O)C2=CC=C(Br)C=C2N1 3917AC [0,0,0,0,1,0|2,1,0]=4 6 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 4701AC [2,0,0,0,0,0|2,0,0]=4 7 B14R2.1128 CC1OC2=C(C=CC=C2)C=C1C=O 5909AE [2,0,0,0,0,0|1,0,1]=4 8 B16R2.23372 CC(=O)C1=C(C)N=C2C=CC=CC2=C1C Z2199 [1,1,0,0,0,0|1,0,0]=3 9 B16R2.23372 CC(=O)C1=C(Cl)C2=CC=CC=C2N=C1C 6707AA [1,1,0,0,0,0|1,0,0]=3 10 B16R2.33941 COC(=O)C1=C(C)N=C2C=CC=CC2=C1 3127AB [1,1,0,0,0,0|0,0,0]=2 11 B16R2.192946 O=CC1=C(Cl)N=C2C=C(Cl)C(Cl)=CC2=C1 2726AB [1,1,0,0,0,0|1,0,0]=3 12 B16R2.1205 COC(=O)C1=CC2=C(C=CC(Cl)=C2)OC1 8071AE [1,1,0,0,0,0|1,0,1]=4 13 B16R2.3885 O=C(O)C1=CC=C2C=C(Br)C(Br)=CC2=C1 5806AA [1,1,0,0,0,0|1,1,0]=4 14 B16R2.12044 NC1=CC=C2N=CC(C(=O)O)=C(O)C2=C1 0476AA [1,1,0,0,0,0|1,0,0]=3 15 B16R2.12044 O=C(O)C1=C(O)C2=C(C=CC(O)=C2)N=C1 2866AC [1,1,0,0,0,0|1,0,0]=3 16 B16R2.12044 O=C(O)C1=CNC2=C(N=C(Cl)C=C2)C1=O 6592AC [1,1,0,0,0,0|1,0,1]=4 17 B16R2.26103 O=C(O)C1=CC2=C(OC1)C(Cl)=CC(Cl)=C2 5935AH [1,1,0,0,0,0|1,0,1]=4 18 B16R2.133406 O=C(O)C1=CC(=O)C2=C(C=C(Cl)C=C2)N1 9442AA [1,1,0,0,0,0|2,0,0]=4 19 B16R2.7527 COC1=CC2=C(C=C1)NC(C)=C2C(=O)O 0209AE [0,1,0,0,1,0|1,0,1]=4 20 B16R2.33916 COC(=O)C1=C(C)C2=CC=C(F)C=C2S1 4322AJ [0,1,0,0,1,0|1,1,0]=4 21 B16R2.33916 COC(=O)C1=CC2=CC(Cl)=CC=C2N1C 4567AD [0,1,0,0,1,0|1,0,0]=3 22 B16R2.39460 COC1=CC=C2C(=C1)SC(C(=O)O)=C2C 3577AJ [0,1,0,0,1,0|2,0,0]=4 23 B16R2.98486 CC1=C(C(=O)O)N(C)C2=C1C=C(Cl)C=C2 4732AD [0,1,0,0,1,0|1,0,0]=3 24 B14R2.450 CC(=O)C1=CC2=C(C=CC=C2)N1C 1366AL [1,0,0,0,1,0|2,0,0]=4 25 B14R2.450 CN1C(C(N)=O)=CC2=CC=CC=C21 5689AE [1,0,0,0,1,0|2,0,0]=4 26 B14R2.450 NC1=C(C(=O)O)SC2=CC=CC=C21 2607AE [1,0,0,0,1,0|2,0,0]=4 27 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2S1 0811AQ [1,0,0,0,1,0|2,0,0]=4 28 B14R2.642 CC1=NN2C=CC=CC2=C1C(=O)O 2545AC [1,0,0,0,1,0|1,0,0]=3 29 B14R2.19008 CC1=C(C=O)C2=CC(O)=CC=C2N1 5652AB [1,0,0,0,1,0|1,0,1]=4 30 B14R2.4529 NC1=CC2=C(C=C1)N=C(C(=O)O)N2 4760AB [1,0,0,0,1,0|2,0,0]=4 31 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2O1 2201AB [1,0,0,0,1,0|1,1,0]=4 32 B14R2.4529 O=C(O)C1=CN2C=CC(Cl)=CC2=N1 0537AA [1,0,0,0,1,0|2,0,0]=4 33 B14R2.4529 O=C(O)C1=NC2=C(C=C(Br)C=C2)O1 6210AC [1,0,0,0,1,0|1,1,0]=4 34 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)O1 6711AB [1,0,0,0,1,0|2,0,0]=4 35 B14R2.4529 O=C(O)C1=NC2=CC=C(F)C=C2O1 3543AJ [1,0,0,0,1,0|1,1,0]=4 36 B14R2.5816 NC1=CC2=C(C=C1)NC=C2C(=O)O 0751AC [1,0,0,0,1,0|1,0,1]=4 37 B14R2.5816 O=C(O)C1=C2C=C(Br)C=CN2N=C1 1929AA [1,0,0,0,1,0|1,1,0]=4 38 B14R2.5816 O=C(O)C1=CSC2=C1C=C(F)C=C2 3217AJ [1,0,0,0,1,0|1,1,0]=4 39 B16R2.3989 O=C(O)CC1=CC2=C(C=CC=C2)OC1=O 7097AD [1,0,0,0,0,1|2,0,0]=4 40 B16R2.23502 CC1=CC2=C(C=C1)N=C(Cl)C=C2C(=O)O Y1957 [0,0,0,0,1,1|2,0,0]=4 41 B16R2.23502 O=C(O)C1=CC(O)=NC2=CC=C(Cl)C=C21 0052AD [0,0,0,0,1,1|1,0,0]=3 42 B16R2.133456 NC1=CC2=C(C=C1)C(O)=C(C(=O)O)C=N2 3235AC [0,0,0,0,1,1|2,0,0]=4 43 B16R2.133456 O=C(O)C1=CN=C2C=C(Cl)C=CC2=C1Cl 9555AB [0,0,0,0,1,1|1,0,0]=3 44 B16R2.133456 O=C(O)C1=CNC2=C(C=CC(O)=C2)C1=O 9684AB [0,0,0,0,1,1|2,0,0]=4