0 B13R1.44 NCCNC(=O)NC1=CC=CC=C1 4504AH [1,0,0,0,0,0|3,0,0]=4 1 B13R1.44 O=C(CC1=CC=CC=C1)NCCO 6968AE [1,0,0,0,0,0|2,0,0]=3 2 B15R2.33 CN1CCC(=O)C(C2=CC=CC=C2)C1 X5643 [0,0,0,1,0,0|2,0,0]=3 3 B15R2.993 CC(C)CN1C2=CC=CC=C2N=C1S 5548AE [0,0,0,1,0,0|2,1,0]=4 4 B15R2.7532 CC1(C)CN=C(CC2=CC=CC=C2)C1 2724AA [0,0,0,1,0,0|2,0,0]=3 5 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 7164AJ [0,0,0,0,1,0|2,0,0]=3 6 B13R1.348 CC(C)CC(=O)NC1=CC=CC=C1 5877AF [0,0,0,0,1,0|1,0,0]=2 7 B13R1.348 CC(C)OC(=O)NC1=CC=CC=C1 P873 [0,0,0,0,1,0|1,0,0]=2 8 B13R1.348 CC(O)CN(C)CC1=CC=CC=C1 AMTGC606 [0,0,0,0,1,0|3,0,0]=4 9 B15R1.5919 CC(O)C#CC(=O)OCC1=CC=CC=C1 4062AC [0,0,0,0,0,1|2,0,1]=4 10 B12R1.8 NCCOCCC1=CC=CC=C1 0341AD [2,0,0,0,0,0|1,0,1]=4 11 B12R1.32 CCOC(=O)CC1=CC=NC=C1 7856AB [2,0,0,0,0,0|1,0,0]=3 12 B12R1.32 CCOC(=O)CC1=NC=NC=C1 4554AA [2,0,0,0,0,0|2,0,0]=4 13 B12R1.32 CNCC(=O)NC1=CC=CC=C1 W7306 [2,0,0,0,0,0|2,0,0]=4 14 B12R1.32 NCCC(=O)NC1=CC=CC=C1 9531AC [2,0,0,0,0,0|2,0,0]=4 15 B14R1.33 CCCCS(=O)CC1=CC=C(Br)C=C1 Z9384 [1,1,0,0,0,0|2,0,0]=4 16 B14R1.818 CC(C)CC(=O)\C=C\C1=CC=CC=C1 8084AL [1,1,0,0,0,0|1,0,1]=4 17 B14R1.160 CC(C)CNC(=O)C1=CC=CN=C1Cl 6401AE [0,1,0,0,1,0|2,0,0]=4 18 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 8080AL [0,1,0,0,1,0|0,0,0]=2 19 B14R1.678 CC1=CC=C(C(=O)CCN(C)C)C=C1 5709AJ [0,1,0,0,1,0|2,0,0]=4 20 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 0829AB [0,1,0,0,1,0|2,0,0]=4 21 B14R1.678 CN(C)CCC(=O)C1=CC=C(O)C=C1 4299AB [0,1,0,0,1,0|2,0,0]=4 22 B14R1.425 CC(C)C(N)C(=O)NC1=CC=CC=C1 7165AE [0,1,0,0,1,0|1,0,0]=3 23 B16R1.613 CC(C)CCOC(=O)C(O)C1=CC=CC=C1 7809AL [0,1,0,0,0,1|0,0,0]=2 24 B16R1.6944 CC(C)C[C@@H](N)C(=O)OCC1=CC=CC=C1 9261AA [0,1,0,0,0,1|1,0,0]=3 25 B14R2.24 O=C1NCCNC1C2=CC=CC=C2 W6804 [1,0,0,1,0,0|2,0,0]=4 26 B14R2.67 CCCCC1=CC2=CC=CC=C2C1 5541AC [1,0,0,1,0,0|2,0,0]=4 27 B14R2.403 CC1(C)COC(C2=CC=CC=C2)=N1 X5272 [0,0,0,1,1,0|1,0,0]=3 28 B14R2.422 NC1CN(C(=O)C2=CC=CC=C2)C1 2074AF [0,0,0,1,1,0|2,0,0]=4 29 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 X4898 [0,0,0,1,1,0|1,0,0]=3 30 B14R2.642 CC(C)N1C(=O)NC2=CC=CC=C21 V5468 [0,0,0,1,1,0|2,0,0]=4 31 B16R2.11932 CC1(C)COC(CC2=CC=CC(Br)=C2)=N1 1801AF [0,1,0,1,0,0|1,0,0]=3 32 B16R2.44951 CC(C)CN1C(=O)C(=O)C2=C1C=CC=C2 9773AE [0,1,0,1,0,0|1,0,1]=4 33 B12R1.30 CCCCC(=O)C1=CC=CN=C1 8729AA [1,0,0,0,1,0|2,0,0]=4 34 B12R1.30 CCCCC(=O)C1=CC=NC=C1 8730AA [1,0,0,0,1,0|2,0,0]=4 35 B12R1.30 NCCNC(=O)C1=CC=CC=C1 4647AD [1,0,0,0,1,0|2,0,0]=4 36 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 6017AC [1,0,0,0,1,0|1,0,0]=3 37 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [1,0,0,0,1,0|1,0,0]=3 38 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [1,0,0,0,1,0|1,0,1]=4 39 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [1,0,0,0,1,0|1,0,1]=4 40 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [0,0,0,0,2,0|1,0,1]=4 41 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [0,0,0,0,2,0|1,0,1]=4 42 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 7718AL [0,0,0,0,2,0|1,0,0]=3 43 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 3918AF [0,0,0,0,2,0|2,0,0]=4 44 B12R1.43 CC(C)C(=O)CC1=NC=CC=C1 2329AJ [0,0,0,0,2,0|1,0,0]=3 45 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 4801AD [0,0,0,0,2,0|2,0,0]=4 46 B12R1.43 CN(C)C(=S)CC1=CC=CC=C1 5910AD [0,0,0,0,2,0|1,1,0]=4 47 B14R1.156 O=C(NCCI)OCC1=CC=CC=C1 0550AC [1,0,0,0,0,1|2,0,0]=4 48 B16R1.608 CC(C)OCNC(=O)OCC1=CC=CC=C1 1251AQ [0,0,0,0,0,2|1,0,0]=3