0 B14R2.510 CCC=C1C2=CC=CC=C2C(=O)O1 PI-27256 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.1428 CCC\C=C\1/OC(=O)C2=C1CCC=C2 PI-39025 [0,1,0,0,0,0|0,0,2]=3 2 B15R2.1428 O=C1OC(CCCC)C2=C1C=CC=C2 PI-41591 [0,1,0,0,0,0|0,0,2]=3 3 B15R2.53147 C1=CC=C2C(=C1)C(=CC(=O)O)OC2=O PI-17181 [0,1,0,0,0,0|1,0,1]=3 4 B13R1.464 CCOC(=O)C1=CC=CC=C1C=O PI-44087 [0,0,1,0,0,0|1,0,1]=3 5 B13R1.572 CCCOc1ccccc1C(=O)O PI-25329 [0,0,1,0,0,0|1,0,1]=3 6 B13R1.572 CCCSC1=C(C=CC=N1)C(=O)O PI-30218 [0,0,1,0,0,0|2,0,1]=4 7 B13R1.572 CC[Hg]Sc1ccccc1C(=O)[O-] PI-14234 [0,0,1,0,0,0|2,0,1]=4 8 B15R3.14759 O=C1Oc2cccc3cccc1c23 PI-36001 [0,0,0,1,0,0|0,0,2]=3 9 B15R2.4392 CCOC1=CC(=O)OC2=CC=CC=C21 PI-19492 [0,0,0,0,0,1|2,0,0]=3 10 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [1,0,1,0,0,0|0,0,2]=4 11 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [1,0,1,0,0,0|0,0,2]=4 12 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [1,0,1,0,0,0|0,0,1]=3 13 B12R1.77 COC(=O)C1=CC=CC=C1C=O PI-27575 [1,0,1,0,0,0|1,0,1]=4 14 B12R1.283 CCOC1=CC=CC=C1C(=O)C PI-22025 [1,0,1,0,0,0|2,0,0]=4 15 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl PI-31759 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.283 CCOC1=CC=CC=C1C(=O)O PI-11840 [1,0,1,0,0,0|1,0,0]=3 17 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 PI-16702 [2,0,0,0,0,0|2,0,0]=4 18 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [2,0,0,0,0,0|1,0,1]=4 19 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [2,0,0,0,0,0|1,0,1]=4 20 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [2,0,0,0,0,0|2,0,0]=4 21 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [2,0,0,0,0,0|2,0,0]=4 22 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl PI-50392 [0,1,1,0,0,0|0,0,2]=4 23 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)[O-] PI-50395 [0,1,1,0,0,0|0,0,2]=4 24 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 PI-36978 [0,1,1,0,0,0|2,0,0]=4 25 B14R1.4522 C1=CC=C(C(=C1)C=CC(=O)O)C(=O)O PI-25734 [0,1,1,0,0,0|1,0,1]=4 26 B14R2.19306 CCN1C2=CC=CC=C2C(=O)C1=O PI-50649 [1,1,0,0,0,0|2,0,0]=4 27 B14R2.19587 CCN1C=C(C2=CC=CC=C21)C=O PI-50647 [1,1,0,0,0,0|2,0,0]=4 28 B14R2.25733 O=C1CN(C(C)=O)C2=C1C=CC=C2 PI-39387 [1,1,0,0,0,0|2,0,0]=4 29 B16R2.113313 CCCC1=CC(=O)OC2=C1C=CC(=C2)O PI-19266 [0,1,0,0,0,1|1,0,1]=4 30 B14R2.260 CC1C(=O)OC(=N1)C2=CC=CC=C2 PI-24662 [0,0,1,1,0,0|1,0,0]=3 31 B14R2.98 C1=CC=C(C(=C1)C=O)C2=CC=CO2 PI-27222 [0,0,1,1,0,0|0,0,2]=4 32 B14R2.215 CCN1C(=O)C2=CC=CC=C2C1=O PI-50556 [0,0,1,1,0,0|1,0,1]=4 33 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O PI-44841 [0,0,1,1,0,0|0,0,2]=4 34 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O PI-44865 [0,0,1,1,0,0|0,0,2]=4 35 B14R2.7724 O=C1N(C)C=C(Br)C2=C1C=CC=C2 PI-46791 [0,0,1,1,0,0|2,0,0]=4 36 B14R2.1019 COC1=CC2=CC=CC=C2C(=C1)O PI-45481 [0,0,1,1,0,0|2,0,0]=4 37 B14R2.31359 C1=CC2=C(C=CN=C2)C(=C1)C(=O)O PI-17900 [0,0,1,1,0,0|1,0,1]=4 38 B14R2.31359 OC(=O)c1cccc2c1CCCC2 PI-12322 [0,0,1,1,0,0|0,0,2]=4 39 B14R2.31359 OC(=O)c1cccc2ccccc12 PI-32009 [0,0,1,1,0,0|0,0,2]=4 40 B14R2.31359 OC(=O)c1cccc2ncccc12 PI-29885 [0,0,1,1,0,0|1,0,1]=4 41 B14R2.11645 CCc1cccc2C(=O)C(=O)Nc12 PI-28927 [0,0,1,1,0,0|2,0,0]=4 42 B16R3.153 C1CC2=C3C(=COC(=O)C3=CC=C2)C1 PI-48031 [0,0,0,1,0,1|0,0,1]=3 43 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 PI-50440 [0,0,1,0,0,1|0,0,2]=4 44 B14R2.1146 BrCc1cc(=O)[nH]c2c1cccc2 PI-16799 [1,0,0,0,0,1|2,0,0]=4