0 B13R1.643 B(\C=C\c1cccc(c1)OC)(O)O AB22312 [1,0,0,0,0,0|1,0,1]=3 1 B13R1.643 CC(=O)COc1cccc(c1)OC AB26139 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.643 COc1cc(ccn1)CCC(=O)O AB61449 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.643 COc1cccc(c1)CCC(=O)O AB01136 [1,0,0,0,0,0|0,0,2]=3 4 B13R1.643 COc1cccc(c1)CCC(=O)[O-] AB72173 [1,0,0,0,0,0|0,0,3]=4 5 B13R1.643 COc1cccc(n1)CCC(=O)O AB61453 [1,0,0,0,0,0|1,0,2]=4 6 B15R1.392 COc1cc(cc(c1F)F)CCC(=O)O AB21054 [0,1,0,0,0,0|1,0,2]=4 7 B15R1.12854 COc1ccc(cc1OC)CCC(=O)O AB00263 [0,1,0,0,0,0|0,0,2]=3 8 B15R2.7688 c1c(cnc2c1OCO2)CCC(=O)O AB73683 [0,0,0,1,0,0|1,0,2]=4 9 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [2,0,0,0,0,0|0,0,2]=4 10 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [2,0,0,0,0,0|1,0,0]=3 11 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [2,0,0,0,0,0|1,0,0]=3 12 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [2,0,0,0,0,0|1,0,0]=3 13 B12R1.226 Cc1cccc(c1)CCC(=O)O AB02387 [2,0,0,0,0,0|0,0,2]=4 14 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [2,0,0,0,0,0|1,0,0]=3 15 B12R1.286 COc1cc(ccc1O)CC=O CB11185 [2,0,0,0,0,0|0,0,1]=3 16 B12R1.382 COc1cccc(c1)CCC=O AB42268 [2,0,0,0,0,0|0,0,2]=4 17 B14R1.6059 c1cc(c(c(c1\C=C\C(=O)O)O)O)O PB17301 [1,1,0,0,0,0|0,0,0]=2 18 B14R1.74 COc1cccc(c1)C(CC(=O)O)N AB06127 [1,1,0,0,0,0|0,0,2]=4 19 B14R1.74 COc1cccc(c1)[C@@H](CC(=O)O)N AB17750 [1,1,0,0,0,0|0,0,2]=4 20 B14R1.75 COc1cccc(c1)CC(C(=O)O)N AB21645 [1,1,0,0,0,0|0,0,2]=4 21 B14R1.75 COc1cccc(c1)C[C@@H](C(=O)O)N AB02001 [1,1,0,0,0,0|0,0,2]=4 22 B14R1.75 COc1cccc(c1)C[C@H](C(=O)O)N AB15918 [1,1,0,0,0,0|0,0,2]=4 23 B14R1.6355 B(c1cccc(c1)\C=C\C(=O)O)(O)O AB08184 [1,1,0,0,0,0|2,0,0]=4 24 B16R1.4273 COc1ccc(cc1OC)C(CC(=O)O)N AB07008 [0,2,0,0,0,0|0,0,2]=4 25 B16R1.4273 COc1ccc(cc1OC)[C@@H](CC(=O)O)N AB17737 [0,2,0,0,0,0|0,0,2]=4 26 B16R1.4274 COc1ccc(cc1OC)CC(C(=O)O)N AB01633 [0,2,0,0,0,0|0,0,2]=4 27 B16R1.4274 COc1ccc(cc1OC)C[C@H](C(=O)O)N AB33629 [0,2,0,0,0,0|0,0,2]=4 28 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O PB17055 [1,0,0,1,0,0|0,0,0]=2 29 B14R2.991 c1cc2c(cc1CCC=O)OCO2 AB49248 [1,0,0,1,0,0|0,0,2]=4 30 B14R2.2332 COc1ccc2c(c1)ccc(n2)Cl AB07225 [1,0,0,1,0,0|2,0,0]=4 31 B14R2.2332 COc1ccc2cc(ccc2c1)Br AB00334 [1,0,0,1,0,0|2,0,0]=4 32 B14R2.1008 c1c(cnc2c1OCO2)CC(=O)O AB73678 [0,0,0,1,1,0|1,0,1]=4 33 B16R2.11587 c1cc2c(cc1C(CC(=O)O)N)OCO2 AB07011 [0,1,0,1,0,0|0,0,2]=4 34 B16R2.11587 c1cc2c(cc1[C@@H](CC(=O)O)N)OCO2 AB17871 [0,1,0,1,0,0|0,0,2]=4 35 B16R2.11587 c1cc2c(cc1[C@H](CC(=O)O)N)OCO2 AB17864 [0,1,0,1,0,0|0,0,2]=4 36 B16R2.6257 c1cc2c(cc1CC(C(=O)O)N)OCO2 AB06706 [0,1,0,1,0,0|0,0,2]=4 37 B16R2.6257 c1cc2c(cc1C[C@@H](C(=O)O)N)OCO2 AB33635 [0,1,0,1,0,0|0,0,2]=4 38 B16R2.6257 c1cc2c(cc1C[C@H](C(=O)O)N)OCO2 AB33632 [0,1,0,1,0,0|0,0,2]=4 39 B16R3.10840 c1cc(nc2c1cc3c(c2)OCO3)O AB52839 [0,0,0,2,0,0|1,0,0]=3 40 B12R1.438 COc1cc(ccn1)CC(=O)O AB61445 [1,0,0,0,1,0|1,0,1]=4 41 B12R1.438 COc1cccc(n1)CC(=O)O AB55197 [1,0,0,0,1,0|1,0,1]=4 42 B12R1.56 CCc1cc(ccc1O)C(=O)N MB23638 [0,0,0,0,2,0|2,0,0]=4 43 B12R1.56 CCc1cc(ccc1O)C(=O)O MB09659 [0,0,0,0,2,0|1,0,0]=3 44 B12R1.56 CNc1cc(ccc1O)C(=O)N MB36307 [0,0,0,0,2,0|2,0,0]=4 45 B12R1.56 CNc1cc(ccc1O)C(=O)O MB14732 [0,0,0,0,2,0|1,0,0]=3 46 B12R1.56 COc1c(ccc(n1)C(=O)O)F AB66806 [0,0,0,0,2,0|2,0,0]=4 47 B12R1.56 COc1cc(ccc1Br)C(=O)O AB44930 [0,0,0,0,2,0|1,0,0]=3 48 B12R1.56 COc1cc(ccc1O)C(=O)N MB25472 [0,0,0,0,2,0|1,0,0]=3 49 B12R1.56 COc1cc(cnc1Cl)C(=O)O AB66372 [0,0,0,0,2,0|2,0,0]=4 50 B12R1.56 CSc1cc(ccc1O)C(=O)N MB36366 [0,0,0,0,2,0|1,1,0]=4 51 B12R1.56 c1cc(c(cc1C(=O)O)C#N)O MB08388 [0,0,0,0,2,0|2,0,0]=4 52 B12R1.56 c1cc(c(cc1C(=O)O)CN)O MB02933 [0,0,0,0,2,0|2,0,0]=4