0 B13R1.382 COC(=O)c1ccccc1CCN AB23357 [1,0,0,0,0,0|2,0,1]=4 1 B13R1.589 B(c1ccccc1NC(=O)C)(O)O AB11213 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.589 CC(C)Nc1c(cccn1)C(=O)O AB19645 [1,0,0,0,0,0|2,0,1]=4 3 B15R1.11372 COC(=O)c1ccccc1CS(=O)(=O)Cl AB56170 [0,1,0,0,0,0|3,0,0]=4 4 B15R1.11372 COC(=O)c1ccccc1CS(=O)(=O)N AB13872 [0,1,0,0,0,0|3,0,0]=4 5 B15R2.8448 CN1CC(=O)Nc2ccccc2C1=O AB07421 [0,0,0,1,0,0|1,0,0]=2 6 B15R2.19309 COC(=O)c1cccc2c1CC(=O)N2 PB23593 [0,0,0,1,0,0|2,0,0]=3 7 B15R2.19309 COC(=O)c1cccc2c1NC(=O)C2 PB19984 [0,0,0,1,0,0|0,0,0]=1 8 B15R2.19309 COC(=O)c1cccc2c1nc(o2)S AB66139 [0,0,0,1,0,0|1,0,2]=4 9 B15R2.19309 COC(=O)c1cccc2c1nc(s2)N AB20894 [0,0,0,1,0,0|1,1,1]=4 10 B15R2.19309 COC(=O)c1cccc2c1nc(s2)O AB66273 [0,0,0,1,0,0|1,0,2]=4 11 B15R2.19309 COC(=O)c1cccc2c1nc(s2)S AB66161 [0,0,0,1,0,0|1,1,1]=4 12 B15R2.19309 COC(=O)c1cccc2c1oc(n2)S AB66141 [0,0,0,1,0,0|2,1,0]=4 13 B15R2.19309 COC(=O)c1cccc2c1sc(n2)Cl AB69987 [0,0,0,1,0,0|3,0,0]=4 14 B15R2.19309 COC(=O)c1ccnc2c1CC(=O)N2 PB33133 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.19309 Cn1cc2c(cccc2n1)C(=O)OC PB23868 [0,0,0,1,0,0|3,0,0]=4 16 B15R2.19309 Cn1cc2cccc(c2n1)C(=O)OC PB32933 [0,0,0,1,0,0|2,0,1]=4 17 B15R2.19335 COC(=O)c1ccccc1OC2CC2 MB20142 [0,0,0,1,0,0|2,0,1]=4 18 B13R1.547 B(c1ccccc1C(=O)OC)(O)O AB11160 [0,0,0,0,1,0|2,0,1]=4 19 B13R1.547 COC(=O)c1c(cccn1)C(=O)N AB76547 [0,0,0,0,1,0|2,0,0]=3 20 B12R0.248 CCC\C=C/C=C/C=C/C(=O)OC CB11972 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.75 CC(=O)Nc1ccccc1C=O AB29065 [2,0,0,0,0,0|0,0,0]=2 22 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.77 COC(=O)c1ccccc1C#C AB65625 [2,0,0,0,0,0|0,0,2]=4 24 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.77 COc1ccccc1C(=N)OC AB60967 [2,0,0,0,0,0|2,0,0]=4 27 B14R1.438 CCOc1cc(ccc1NC(=O)C)N AB43928 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.789 COC(=O)c1ccccc1CCC=O AB42291 [1,1,0,0,0,0|1,0,0]=3 29 B14R1.164 Cc1ccc(c(c1)NC(=O)C)C(=O)O AB63490 [1,1,0,0,0,0|0,0,0]=2 30 B14R1.164 c1cc(c(cc1Br)CC(=O)O)C(=O)O MB09794 [1,1,0,0,0,0|2,0,0]=4 31 B14R1.164 c1cc(c(cc1F)CC(=O)O)C(=O)O MB09787 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.815 CC(=O)Nc1ccccc1S(=O)(=O)Cl AB60369 [1,1,0,0,0,0|1,0,1]=4 33 B14R1.4926 c1cc(c(c(c1)Cl)C(=O)O)CC(=O)O AB76823 [1,1,0,0,0,0|2,0,0]=4 34 B14R1.6074 CC(=O)c1cc(ccc1NC(=O)C)Br MB01207 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.6074 Cc1ccc(c(c1)C(=O)O)NC(=O)C AB55255 [1,1,0,0,0,0|0,0,0]=2 36 B14R1.6074 c1cc(c(cc1Br)C(=O)O)CC(=O)O AB65017 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.6074 c1cc(c(cc1Cl)C(=O)O)CC(=O)O AB65013 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.6074 c1cc(c(cc1I)C(=O)O)CC(=O)O AB65020 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.6074 c1cc(c(cc1N)C(=O)O)CC(=O)O AB65012 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.6074 c1cc(c(cc1O)C(=O)O)CC(=O)O AB65022 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.623 CCOC(=O)c1cccnc1C(=O)O AB31822 [0,1,0,0,1,0|2,0,0]=4 42 B14R1.707 CNC(=O)c1cc(ccc1C(=O)N)O MB25230 [0,1,0,0,1,0|2,0,0]=4 43 B14R1.707 CNC(=O)c1cc(ccc1C(=O)O)O MB25233 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.1126 CNC(=O)c1ccc(cc1C(=O)N)O MB36946 [0,1,0,0,1,0|2,0,0]=4 45 B14R1.1153 CNC(=O)c1cccc(c1C(=O)O)O MB29225 [0,1,0,0,1,0|2,0,0]=4 46 B14R1.1164 CNC(=O)c1c(cccc1O)C(=O)N MB25083 [0,1,0,0,1,0|2,0,0]=4 47 B14R1.1164 CNC(=O)c1c(cccc1O)C(=O)O MB25086 [0,1,0,0,1,0|2,0,0]=4 48 B16R1.16764 CNC(=O)c1cc(ccc1NS(=O)(=O)C)O MB25254 [0,2,0,0,0,0|2,0,0]=4 49 B16R1.20137 CC(=O)Nc1ccc(cc1C(=O)OC)OC AB16566 [0,2,0,0,0,0|0,0,0]=2 50 B16R1.17275 CNC(=O)c1c(cccc1O)NS(=O)(=O)C MB25101 [0,2,0,0,0,0|2,0,0]=4 51 B16R1.74190 CNC(=O)c1cccc(c1NS(=O)(=O)C)O MB37316 [0,2,0,0,0,0|2,0,0]=4 52 B16R1.75818 CNC(=O)c1ccc(cc1NS(=O)(=O)C)O MB26291 [0,2,0,0,0,0|2,0,0]=4 53 B14R1.379 CC(=O)Nc1cc(cc(c1)OC)C=O AB77683 [0,0,1,1,0,0|2,0,0]=4 54 B14R1.379 CC(=O)Nc1cc(nc(c1)OC)C=O AB78950 [0,0,1,1,0,0|2,0,0]=4 55 B14R2.391 c1ccc2c(c1)CCCCC(=O)N2 AB01426 [1,0,0,1,0,0|1,0,1]=4 56 B14R2.287 c1ccc2c(c1)C(=O)CCC(=O)N2 PB30721 [1,0,0,1,0,0|1,0,0]=3 57 B14R2.287 c1ccc2c(c1)C(=O)NCC(=O)N2 AB03447 [1,0,0,1,0,0|1,0,0]=3 58 B14R2.10782 COC(=O)c1cccc2c1scn2 AB69988 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.712 c1cc(c2c(c1)NC(=O)C2)C(=O)O PB28115 [1,0,0,1,0,0|2,0,0]=4 60 B14R2.712 c1cc2c(c(c1)C(=O)O)NC(=O)C2 PB10338 [1,0,0,1,0,0|0,0,0]=2 61 B14R2.25733 CC(=O)N1CC(=O)c2c1nccc2 AB51463 [1,0,0,1,0,0|1,0,0]=3 62 B14R2.25733 CC(=O)n1cc(c2c1cccc2)O AB02040 [1,0,0,1,0,0|1,0,0]=3 63 B16R2.33901 COC(=O)c1cccc2c1OCC(=O)N2 MB02522 [0,0,0,1,0,1|2,0,0]=4 64 B16R2.33951 COC(=O)C1=c2ccccc2=NC(=O)C1 PB36482 [0,0,0,1,0,1|0,0,1]=3 65 B16R2.33951 c1ccc2c(c1)NC(=O)CN2C(=O)CCl MB01296 [0,0,0,1,0,1|2,0,0]=4 66 B16R2.128840 CN1CC(=O)Nc2ccc(cc2C1=O)Br AB22994 [0,1,0,1,0,0|1,0,0]=3 67 B16R2.172757 COC(=O)c1cccc2c1NC(=O)CO2 MB11349 [0,1,0,1,0,0|0,0,0]=2 68 B12R1.291 COC(=O)c1cscc1NC=O AB03424 [1,0,0,0,1,0|1,0,0]=3 69 B12R1.261 B(c1ccccc1C(=O)C)(O)O AB09053 [1,0,0,0,1,0|1,0,1]=4 70 B12R1.261 c1cncc(c1C(=O)O)C(=O)O CB10042 [1,0,0,0,1,0|2,0,0]=4 71 B14R1.4522 c1ccc(c(c1)CCC(=O)O)C(=O)O MB00245 [1,0,0,0,0,1|2,0,0]=4 72 B14R1.733 CC(=O)Nc1cccc(c1)C(=O)C=O AB48681 [0,0,0,0,1,1|2,0,0]=4