0 B12R1.252 C(C1=CC=CC=C1)OCC(=O)O ACS017159 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.252 C(C1=CC=CC=C1)OC[C@@H](C)O ACS012310 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.252 C(CC1=CC=CC=C1)OC(C)=O ACS012688 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.252 CC(=CCSC1=CC=CC=C1)C ACS015597 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.252 O(C1=CC=CC=C1)CCC(=O)O ACS015602 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.28 BrCCOCC1=CC=CC=C1 ACS014787 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 C(C1=CC=CC=C1)NCC#N ACS019120 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 C(C1=CC=CC=C1)OCCO ACS010246 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.28 C(CCCC)C1=CC=CC=C1 ACS011797 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 C1(=CC=CC=C1)CCCCO ACS010447 [1,0,0,0,0,0|0,0,1]=2 10 B13R1.351 NC(CCC1=CC=CC=C1)B(O)O ACS019380 [0,1,0,0,0,0|1,0,1]=3 11 B13R1.513 FC1=CC=C(OCCC(=O)O)C=C1 ACF015586 [0,1,0,0,0,0|1,0,0]=2 12 B13R2.72 N1C=C(C2=CC=CC=C12)C(=O)O ACS016918 [0,0,0,1,0,0|1,0,2]=4 13 B13R2.2382 C(C1CO1)OCC2=CC=CC=C2 ACS012040 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 ACS010854 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 ACS010853 [0,0,0,1,0,0|2,0,1]=4 16 B11R1.91 C(C=CC1=CC=CC=C1)(=O)O ACS013027 [0,0,0,0,1,0|0,0,2]=3 17 B11R1.91 C1(=CC=CC=C1)NCC(=O)O ACS024393 [0,0,0,0,1,0|1,0,0]=2 18 B11R1.91 N1=CC(=CC=C1)\C=C\C(=O)O ACS011792 [0,0,0,0,1,0|1,0,2]=4 19 B11R1.91 N1=CC=C(C=C1)OCC(=O)O ACS020765 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.91 [N+](=O)([O-])CCC1=CC=CC=C1 ACS012492 [0,0,0,0,1,0|1,0,1]=3 21 B11R1.91 c1cc(cnc1)\C=C\C(=O)O ACS010540 [0,0,0,0,1,0|1,0,2]=4 22 B13R1.337 C(C1=CC=CC=C1)NCCN(C)C ACS012228 [0,0,0,0,0,1|3,0,0]=4 23 B13R1.337 C(C1=CC=CC=C1)OCCC(=O)O ACS020409 [0,0,0,0,0,1|0,0,0]=1 24 B10R1.17 BrCCOC1=CC=CC=C1 ACS010459 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.17 ClCCOC1=CC=CC=C1 ACS014772 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 O(C1=CC=CC=C1)CCO ACS015601 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.8 C1(=CC=CC=C1)CCCCCO ACS020132 [1,1,0,0,0,0|0,0,1]=3 28 B12R1.21 CC1=CC=C(C=CC(=O)O)C=C1 ACS013033 [0,1,0,0,1,0|0,0,2]=4 29 B12R1.21 FC1=CC=C(C=C1)SCC(=O)O ACF015588 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.21 NC1=CC=C(C=CC(=O)O)C=C1 ACS013020 [0,1,0,0,1,0|0,0,2]=4 31 B12R1.21 OC1=CC=C(C=C1)CCC(C)=O ACS011998 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.43 C1(=CC=CC=C1)NC(C(=O)O)C ACS011814 [0,1,0,0,1,0|1,0,0]=3 33 B12R1.43 NC(CC1=CC=CC=C1)B(O)O ACS019379 [0,1,0,0,1,0|1,0,1]=4 34 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O ACS019412 [0,1,0,0,1,0|1,0,1]=4 35 B12R1.43 N[C@@H](CC1=CC=CC=C1)B(O)O ACS019413 [0,1,0,0,1,0|1,0,1]=4 36 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N ACS011731 [0,1,0,0,1,0|1,0,0]=3 37 B12R1.125 BrC1=C(C=CC=C1)CCC(=O)O ACS017007 [0,1,0,0,1,0|0,0,0]=2 38 B12R1.226 BrC=1C=C(C=CC(=O)O)C=CC1 ACS017119 [0,1,0,0,1,0|0,0,2]=4 39 B12R1.226 CC=1C=C(OCC(=O)O)C=CC1 ACS024417 [0,1,0,0,1,0|1,0,0]=3 40 B12R1.226 ClC=1C=C(C=CC(=O)O)C=CC1 ACS013023 [0,1,0,0,1,0|0,0,2]=4 41 B12R1.226 FC=1C=C(C=CC(=O)O)C=CC1 ACF013032 [0,1,0,0,1,0|0,0,2]=4 42 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O ACS013010 [0,1,0,0,1,0|0,0,0]=2 43 B12R1.226 c1cc(cc(c1)F)CCC(=O)O ACF013015 [0,1,0,0,1,0|0,0,0]=2 44 B14R1.420 C(C1=CC=CC=C1)(=O)CCCC(=O)O ACS012124 [0,1,0,0,0,1|0,0,0]=2 45 B14R1.6449 C(C1=CC=CC=C1)OC[C@@H](N)C(=O)O ACS024499 [0,1,0,0,0,1|0,0,0]=2 46 B14R1.678 O=C(CCC(=O)O)C1=CC=C(C=C1)C ACS019499 [0,2,0,0,0,0|0,0,1]=3 47 B14R1.813 C1(=CC=CC=C1)S(=O)(=O)CCC(=O)O ACS015516 [0,2,0,0,0,0|1,0,0]=3 48 B14R1.813 OP(=O)(C1=CC=CC=C1)CCC(=O)O ACS011585 [0,2,0,0,0,0|1,0,0]=3 49 B14R1.161 N[C@H](C(=O)O)CCC1=C(C=CC=C1)O ACS020561 [0,2,0,0,0,0|0,0,0]=2 50 B14R1.743 COC(CC(CC1=CC=CC=C1)=O)=O ACS023819 [0,2,0,0,0,0|0,0,1]=3 51 B12R2.41 c1ccc2c(c1)OCCCO2 ACS024030 [1,0,0,1,0,0|1,0,1]=4 52 B12R2.1081 C1(CCCC2=CC=CC=C12)=O ACS011590 [1,0,0,1,0,0|0,0,0]=2 53 B12R2.1081 C1(OCCC2=CC=CC=C12)=O ACS018859 [1,0,0,1,0,0|1,0,0]=3 54 B12R2.1081 C1OCC(C2=C1C=CC=C2)=O ACS015455 [1,0,0,1,0,0|1,0,0]=3 55 B12R2.1081 N1=CC=CC=2C(CCCC12)=O ACS024496 [1,0,0,1,0,0|1,0,0]=3 56 B12R2.1081 N1CCC(C2=CC=CC=C12)=O ACS017544 [1,0,0,1,0,0|1,0,0]=3 57 B12R2.1081 O1CCC(C2=CC=CC=C12)=O ACS015447 [1,0,0,1,0,0|1,0,0]=3 58 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N ACS011450 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.24 O1CC(NC2=C1C=CC=C2)=O ACS011909 [0,0,0,1,1,0|2,0,0]=4 60 B12R2.24 c1ccc2c(c1)CCC(=O)O2 ACS015483 [0,0,0,1,1,0|0,0,0]=2 61 B14R2.2 N1C=C(C2=CC=CC=C12)CC(=O)O ACS015486 [0,0,0,1,0,1|0,0,2]=4 62 B14R2.19 C(C1=CC=CC=C1)N2CC(CC2)=O ACS011292 [0,0,0,1,0,1|1,0,0]=3 63 B14R2.19 C(C1=CC=CC=C1)N2C[C@H](CC2)O ACS024149 [0,0,0,1,0,1|1,0,1]=4 64 B14R2.19 C(C1=CC=CC=C1)[C@@H]2NC(OC2)=O ACS010978 [0,0,0,1,0,1|1,0,0]=3 65 B14R2.19 C1CN(CC1O)CC2=CC=CC=C2 ACS024150 [0,0,0,1,0,1|1,0,1]=4 66 B14R2.68 C1(=CC=CC=C1)N2CCC(CC2)=O ACS019462 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.768 N1C(=NC2=C1C=CC=C2)CC(=O)O ACS024015 [0,1,0,1,0,0|1,0,1]=4 68 B14R2.768 O1C(=NC2=C1C=CC=C2)CC(=O)O ACS023909 [0,1,0,1,0,0|1,0,1]=4 69 B14R2.781 c1ccc2c(c1)C[C@H](NC2)C(=O)O ACS023783 [0,1,0,1,0,0|1,0,0]=3 70 B14R2.4402 FC1=CC=C(C=C1)[C@@H]2[C@@H](C2)C(=O)O ACF022657 [0,1,0,1,0,0|0,0,0]=2 71 B10R1.18 C1(=CC=CC=C1)CC(=O)O ACS012991 [0,0,0,0,2,0|0,0,0]=2 72 B10R1.18 ClC(=O)OC1=CC=CC=C1 ACS017180 [0,0,0,0,2,0|2,0,0]=4 73 B10R1.18 N1=C(C=CC=C1)CC(=O)O ACS015242 [0,0,0,0,2,0|1,0,0]=3 74 B10R1.18 N1=CC=C(C=C1)CC(=O)O ACS015243 [0,0,0,0,2,0|1,0,0]=3 75 B10R1.66 O1C(=CC=C1)CCC(=O)O ACS015358 [0,0,0,0,2,0|1,0,0]=3