0 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 PI-50440 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.158 OCCCNC(=S)Nc1ccccc1 PI-20859 [0,0,0,0,0,0|3,1,0]=4 2 B13R1.28 BrCCCCCCc1ccccc1 PI-14501 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.28 C1=CC=C(C=C1)COCCCCBr PI-19756 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 PI-50438 [1,0,0,0,0,0|0,0,2]=3 5 B15R1.83 CCCCCOC(=O)CC1=CC=CC=C1 PI-50439 [0,1,0,0,0,0|0,0,0]=1 6 B15R2.1435 CCCCN1C(=CC2=CC=CC=C21)C PI-11077 [0,0,0,1,0,0|2,0,1]=4 7 B15R2.2203 CCCCCC1=NC2=CC=CC=C2N1 PI-45228 [0,0,0,1,0,0|3,0,0]=4 8 B13R1.24 CCCCCC(C1=CC=CC=C1)O PI-46929 [0,0,0,0,1,0|1,0,2]=4 9 B15R1.78 NCCCNC(OCC1=CC=CC=C1)=O PI-39636 [0,0,0,0,0,1|2,0,0]=3 10 B15R1.78 O=CCCNC(=O)OCc1ccccc1 PI-24547 [0,0,0,0,0,1|2,0,1]=4 11 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [2,0,0,0,0,0|1,0,1]=4 12 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [2,0,0,0,0,0|1,0,0]=3 13 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.8 CCCCCCC1=CC=CC=N1 PI-13332 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.8 CCCCCC[N+]1=CC=CC=C1 PI-17157 [2,0,0,0,0,0|1,0,1]=4 16 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.8 O=CCCOCc1ccccc1 PI-39298 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.8 OCCCNCc1ccccc1 PI-28560 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [2,0,0,0,0,0|0,0,0]=2 20 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [2,0,0,0,0,0|2,0,0]=4 24 B14R1.14 CCCCCCCC1=CC=C(C=C1)O PI-11987 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.123 BrCCCCCCCc1ccccc1 PI-22266 [1,1,0,0,0,0|1,0,1]=4 26 B14R1.123 C1=CC=C(C=C1)COCCCCCBr PI-19021 [1,1,0,0,0,0|2,0,0]=4 27 B14R1.123 CCCCCCCCC1=CC=CC=C1 PI-44002 [1,1,0,0,0,0|1,0,1]=4 28 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 PI-19023 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 PI-14674 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)O PI-12828 [0,1,0,0,1,0|1,0,0]=3 31 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl PI-50392 [0,1,0,0,1,0|0,0,0]=2 32 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)[O-] PI-50395 [0,1,0,0,1,0|0,0,0]=2 33 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 PI-31772 [0,1,0,0,1,0|2,0,0]=4 34 B14R1.420 CN(C)CCOC(=O)c1ccccc1 PI-32927 [0,1,0,0,1,0|1,0,0]=3 35 B16R1.688 CCCCOCC(COC1=CC=CC=C1)O PI-13210 [0,1,0,0,0,1|0,0,2]=4 36 B14R2.67 CCCCC1=CC2=CC=CC=C2O1 PI-22725 [1,0,0,1,0,0|0,0,2]=4 37 B14R2.67 CCCCC1=NC2=CC=CC=C2N1 PI-45293 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.8 B1(OCC(O1)CC)C2=CC=CC=C2 PI-49980 [0,0,0,1,1,0|1,0,1]=4 39 B14R2.114 O=C(C1CCCC1)C2=CC=CC=C2 PI-42718 [0,0,0,1,1,0|1,0,0]=3 40 B14R2.510 CCC=C1C2=CC=CC=C2C(=O)O1 PI-27256 [0,0,0,1,1,0|0,0,2]=4 41 B16R2.2238 C1CC(NC1)C(=O)OCC2=CC=CC=C2 PI-11625 [0,0,0,1,0,1|2,0,0]=4 42 B16R2.2238 O=C([C@H]1CCCN1)OCc2ccccc2 PI-39277 [0,0,0,1,0,1|2,0,0]=4 43 B16R2.2441 CCCCOc1ccc2c(c1)cccc2 PI-18069 [0,0,0,1,0,1|1,0,1]=4 44 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [1,0,0,0,1,0|0,0,2]=4 45 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [1,0,0,0,1,0|0,0,0]=2 46 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [1,0,0,0,1,0|2,0,0]=4 47 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [1,0,0,0,1,0|0,0,0]=2