0 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O SB01122 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.7724 CN1C(=O)C=C(O)C2=CC=CC=C21 BTB12329 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 JFD02612 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.328 CC1=CC(O)=NC2=C1C=CC=C2 AC12157 [1,0,0,0,0,0|1,0,2]=4 4 B13R2.328 CC1=NC2=C(C=CC=C2)C(O)=C1 BTB01126 [1,0,0,0,0,0|1,0,1]=3 5 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)N1 BTB05782 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 JFD03657 [1,0,0,0,0,0|1,0,1]=3 7 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 PD00036 [1,0,0,0,0,0|1,1,1]=4 8 B13R2.328 OC1=CC(O)=C2C=CC=CC2=N1 AC13220 [1,0,0,0,0,0|0,0,2]=3 9 B13R2.328 OC1=NC(O)=C2C=CC=CC2=N1 BTB02356 [1,0,0,0,0,0|1,0,2]=4 10 B13R2.328 S=C1NC(=S)C2=C(C=CC=C2)N1 PD00041 [1,0,0,0,0,0|1,2,0]=4 11 B13R2.371 BrC1=CC=C(Br)C2=CC=CC=C12 BTB10259 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.6124 CCN1C(=O)C=C(O)C2=CC=CC=C21 NRB02371 [0,1,0,0,0,0|0,0,0]=1 13 B15R2.9032 CC1=C(O)C2=CC=CC=C2N(C)C1=O RJC03345 [0,1,0,0,0,0|0,0,0]=1 14 B15R2.9032 CN1C(=O)C(I)=C(O)C2=CC=CC=C21 NRB05093 [0,1,0,0,0,0|0,0,0]=1 15 B15R2.9032 OC1=C(Cl)C(Cl)=C(Cl)C2=CC=CC=C21 BTB12851 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.13861 CN1C2=C(C=CC=C2)C(=O)CS1(=O)=O KM00425 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [1,0,1,0,0,0|0,0,2]=4 18 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 JFD01130 [1,0,1,0,0,0|1,0,0]=3 19 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 RB00326 [2,0,0,0,0,0|1,0,1]=4 20 B14R2.203 CC[N+]1=C(C)C=CC2=CC=CC=C21 JFD03940 [1,1,0,0,0,0|1,0,1]=4 21 B14R2.8188 CC1=NC2=CC=CC=C2N(C)C1=O SEW00767 [1,1,0,0,0,0|1,0,0]=3 22 B14R2.29369 CC1=[N+](C)C2=CC=C(F)C=C2C=C1 BTB02615 [1,1,0,0,0,0|1,0,1]=4 23 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 S11995 [1,1,0,0,0,0|1,0,0]=3 24 B14R2.8045 CC1=NC2=C(C)C=CC=C2C(O)=C1 NRB00906 [1,1,0,0,0,0|1,0,1]=4 25 B14R2.8235 CC1=CC(=O)OC2=CC=C(O)C=C12 JFD00974 [1,1,0,0,0,0|2,0,0]=4 26 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)NC2=O RB00271 [1,1,0,0,0,0|1,0,1]=4 27 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 JFD02341 [1,1,0,0,0,0|1,0,0]=3 28 B14R2.8235 CC1=NC2=C(C=C(Cl)C=C2)C(O)=C1 BTB01152 [1,1,0,0,0,0|1,0,1]=4 29 B14R2.8235 CC1=NC2=C(C=C(F)C=C2)C(O)=C1 BTB01148 [1,1,0,0,0,0|1,0,1]=4 30 B14R2.8235 O=C1C=C(O)C2=CC(Br)=CC=C2O1 BTB14073 [1,1,0,0,0,0|1,0,0]=3 31 B14R2.8235 O=C1C=C(O)C2=CC(Cl)=CC=C2O1 BTB14361 [1,1,0,0,0,0|1,0,0]=3 32 B14R2.29365 CC1=CC(=O)OC2=CC(N)=CC=C12 BTB10779 [1,1,0,0,0,0|2,0,0]=4 33 B14R2.29365 CC1=CC(=O)OC2=CC(O)=CC=C12 BTB10013 [1,1,0,0,0,0|2,0,0]=4 34 B14R2.29365 O=C1NC(=O)C2=C(C=C(Cl)C=C2)N1 RB00270 [1,1,0,0,0,0|1,0,1]=4 35 B14R2.19306 CN1C(=O)\C(=N/O)C2=CC=CC=C21 RJC02195 [0,1,0,0,1,0|0,0,0]=2 36 B16R2.9566 CCN1C(=O)C(C)=C(O)C2=CC=CC=C21 NRB02368 [0,2,0,0,0,0|0,0,0]=2 37 B16R2.8682 CCC1=C(O)C2=CC=CC=C2N(C)C1=O RJC03106 [0,2,0,0,0,0|0,0,0]=2 38 B16R2.8682 CN1C(=O)C(C#N)=C(O)C2=CC=CC=C21 NRB04790 [0,2,0,0,0,0|0,0,0]=2 39 B16R2.83592 CN1C(=O)C(Cl)(Cl)C(=O)C2=CC=CC=C21 BTB13502 [0,2,0,0,0,0|0,0,2]=4 40 B14R2.260 CN1N=C(C2=CC=CC=C2)C=C1N KM01136 [0,0,1,1,0,0|2,0,0]=4 41 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [1,0,0,0,1,0|1,1,0]=4 42 B12R2.18 CN1C(=S)SC2=CC=CC=C21 NRB01427 [1,0,0,0,1,0|1,1,0]=4 43 B14R1.163 CNC(=O)NNC(=O)C1=CC=CC=C1 JM00238 [0,0,1,0,0,1|1,0,1]=4 44 B14R2.287 O=C1CNC(=O)C2=CC=CC=C2N1 BTB01794 [1,0,0,0,0,1|0,0,2]=4