0 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)O PI-12828 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl PI-50392 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)[O-] PI-50395 [0,0,0,0,0,0|0,0,1]=1 3 B13R1.9 CCCCCOC1=CC=C(C=C1)Br PI-30457 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.9 CCCCCOC1=CC=C(C=C1)N PI-50580 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)F PI-28473 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.17 C1=CC(=CC=C1C(=O)CCCCl)O PI-19859 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.17 C1=CC(=CC=C1C(=O)NCCO)N PI-28631 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Br PI-26872 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl PI-12720 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O PI-12345 [1,0,0,0,0,0|0,0,0]=1 11 B13R1.17 NCCNC(=O)c1ccc(cc1)Cl PI-30987 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.24 CCCCCC(C1=CC=CC=C1)O PI-46929 [1,0,0,0,0,0|1,0,2]=4 13 B15R1.30 CCCCCCC(=O)C1=CC=C(C=C1)O PI-12346 [0,1,0,0,0,0|1,0,0]=2 14 B15R1.30 CCCCCOC(=O)C1=CC=C(C=C1)N PI-30111 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.30 CCCCNCC(C1=CC=C(C=C1)O)O PI-49386 [0,1,0,0,0,0|1,0,2]=4 16 B15R1.38 CC1=CC=C(C=C1)S(=O)(=O)OCCCCl PI-19792 [0,1,0,0,0,0|3,0,0]=4 17 B15R1.38 CCCCOS(=O)(=O)C1=CC=C(C=C1)C PI-50231 [0,1,0,0,0,0|2,0,0]=3 18 B15R1.3309 CCCCCC(=O)C1=C(C=C(C=C1)O)O PI-31369 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [2,0,0,0,0,0|1,0,1]=4 20 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [2,0,0,0,0,0|0,0,1]=3 21 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [2,0,0,0,0,0|0,0,0]=2 24 B12R1.1 ClCCCOc1ccc(F)cc1 PI-16895 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [2,0,0,0,0,0|1,0,1]=4 26 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Br PI-17566 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)Cl PI-12841 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.16 C1=CC(=CC=C1C(=O)CCCl)F PI-28418 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl PI-12818 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F PI-26766 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O PI-31007 [2,0,0,0,0,0|0,0,0]=2 34 B12R1.16 CCOC(=N)c1ccc(cc1)Br PI-36927 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Br PI-50243 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C PI-50598 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl PI-34232 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.16 CCOC(=O)C1=CC=C(C=C1)F PI-16489 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N PI-12742 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.16 CCOC(=O)C1=CN=C(C=C1)C PI-40838 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl PI-16734 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.16 CCOC(=O)C1=CN=C(C=C1)N PI-31799 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N PI-31925 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.16 CCOC(=O)c1ccc(cc1)N PI-38042 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.16 COCC(=O)C1=CC=C(C=C1)O PI-44114 [2,0,0,0,0,0|1,0,0]=3 46 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 PI-50399 [2,0,0,0,0,0|0,0,2]=4 47 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PI-40215 [2,0,0,0,0,0|0,0,0]=2 48 B12R1.30 CCCCN(C1=CC=CC=C1)N PI-29775 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.30 CCCOC(=O)C1=CC=CC=C1 PI-50456 [2,0,0,0,0,0|0,0,0]=2 50 B14R1.14 CCCCCCCC1=CC=C(C=C1)O PI-11987 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.14 CCCCCCOC1=CC=C(C=C1)O PI-50584 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.774 CCCCCCc1ccc(cc1O)O PI-31367 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.10 CCC(C)OC(=O)C1=CC=C(C=C1)O PI-50480 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.125 CCCCS(=O)(=O)C1=CC=C(C=C1)N PI-50201 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N PI-50391 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.926 CCCCC(=O)C1=CC=C(C=C1)OC PI-16248 [1,1,0,0,0,0|0,0,0]=2 57 B14R1.926 COC1=CC=C(C=C1)C(=O)CCCCl PI-13652 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.941 CC1=C(C=C(C=C1)C(=O)CCCCl)C PI-17570 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.941 ClCCOC(=O)c1ccc(C)c(N)c1 PI-11285 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.2523 C1=CC(=C(C=C1O)O)C(=O)NCCO PI-30363 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.2523 CCCCC(C1=CC=C(Cl)C=C1Cl)=O PI-40216 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.46 CCCCNS(=O)(=O)c1ccccc1 PI-31772 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.420 CN(C)CCOC(=O)c1ccccc1 PI-32927 [1,1,0,0,0,0|1,0,0]=3 64 B16R1.4231 ClC1=CC=C(C(NC(C)CCC)=O)C=C1Cl PI-37977 [0,2,0,0,0,0|2,0,0]=4 65 B16R1.647 CCOCCOS(=O)(=O)C1=CC=C(C=C1)C PI-49415 [0,2,0,0,0,0|2,0,0]=4 66 B16R1.1050 CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)C PI-33901 [0,2,0,0,0,0|2,0,0]=4 67 B16R1.1713 CCCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] PI-50393 [0,2,0,0,0,0|0,0,1]=3 68 B14R2.68 C1CCC(CC1)C2=CC=C(C=C2)O PI-15329 [1,0,0,1,0,0|1,0,1]=4 69 B14R2.8719 C1CCC(=O)C2=C(C1)C=C(C=C2)O PI-48114 [1,0,0,1,0,0|0,0,0]=2 70 B14R2.8719 Clc1ccc2C(=O)CCCNc2c1 PI-36370 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.8 B1(OCC(O1)CC)C2=CC=CC=C2 PI-49980 [1,0,0,1,0,0|1,0,1]=4 72 B14R2.114 O=C(C1CCCC1)C2=CC=CC=C2 PI-42718 [1,0,0,1,0,0|1,0,0]=3 73 B14R2.510 CCC=C1C2=CC=CC=C2C(=O)O1 PI-27256 [1,0,0,1,0,0|0,0,2]=4 74 B16R2.120 C1CCN(CC1)C(=O)C2=CC=C(C=C2)F PI-23474 [0,1,0,1,0,0|2,0,0]=4 75 B16R2.120 C1CNCCC1C(=O)C2=CC=C(C=C2)Cl PI-31935 [0,1,0,1,0,0|2,0,0]=4 76 B16R2.120 C1CNCCC1C(=O)C2=CC=C(C=C2)Cl PI-48152 [0,1,0,1,0,0|2,0,0]=4 77 B16R2.120 C1COCCN1C(=O)C2=CC=C(C=C2)N PI-43971 [0,1,0,1,0,0|2,0,0]=4 78 B16R2.120 O=C(c1ccc(cc1)F)C2CCNCC2 PI-23475 [0,1,0,1,0,0|2,0,0]=4 79 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 PI-50440 [1,0,0,0,0,1|0,0,0]=2