0 B12R1.27 BrCC(=O)OCC1=CC=CC=C1 ACS011041 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.27 C(C1=CC=CC=C1)NC(CCl)=O ACS014089 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 BrCCOCC1=CC=CC=C1 ACS014787 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.28 C(C1=CC=CC=C1)OCCO ACS010246 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.28 C(CCCC)C1=CC=CC=C1 ACS011797 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.28 C1(=CC=CC=C1)CCCCO ACS010447 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.91 C(C=CC1=CC=CC=C1)(=O)O ACS013027 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.91 C1(=CC=CC=C1)NCC(=O)O ACS024393 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.91 [N+](=O)([O-])CCC1=CC=CC=C1 ACS012492 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.14 ClC1=CC=C(C=CC(=O)OC)C=C1 ACS016916 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.14 OC1=CC=C(C=CC(=O)OC)C=C1 ACS012859 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.33 C1=CC=CC2=C1CCC(CC2)=O ACS018799 [0,0,0,1,0,0|1,0,0]=2 12 B11R1.40 C1(=CC=CC=C1)CC(CC)=O ACS014616 [0,0,0,0,1,0|0,0,0]=1 13 B11R1.40 C1(=CC=CC=C1)OC(NC)=O ACS017176 [0,0,0,0,1,0|1,0,0]=2 14 B10R1.17 BrCCOC1=CC=CC=C1 ACS010459 [2,0,0,0,0,0|1,0,1]=4 15 B10R1.17 C(C=CC1=CC=CC=C1)Cl ACS015577 [2,0,0,0,0,0|1,0,1]=4 16 B10R1.17 ClCCOC1=CC=CC=C1 ACS014772 [2,0,0,0,0,0|1,0,1]=4 17 B10R1.17 O(C1=CC=CC=C1)CCO ACS015601 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.8 C1(=CC=CC=C1)CCCCCO ACS020132 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.252 C(C1=CC=CC=C1)OC[C@@H](C)O ACS012310 [1,1,0,0,0,0|0,0,1]=3 20 B12R1.21 ClC1=CC=C(C=C1)C=CC(C)=O ACS014642 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.21 OC1=CC=C(C=C1)CCC(C)=O ACS011998 [1,1,0,0,0,0|1,0,0]=3 22 B12R1.125 BrC1=C(C=CC=C1)CCC(=O)O ACS017007 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O ACS013010 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.226 c1cc(cc(c1)F)CCC(=O)O ACF013015 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.34 C(C1=CC=CC=C1)(=O)C(=O)OC ACS011953 [0,1,0,0,1,0|1,0,1]=4 26 B12R1.34 COC(=O)[C@@H](c1ccccc1)O ACS011328 [0,1,0,0,1,0|1,0,0]=3 27 B12R1.34 NC(C(=O)OC)C1=CC=CC=C1 ACS015593 [0,1,0,0,1,0|1,0,0]=3 28 B12R1.49 CC1=CC=C(C=C1)CC(=O)OC ACS012875 [0,1,0,0,1,0|1,0,0]=3 29 B12R1.49 ClC1=CC=C(C=C1)CC(=O)OC ACS012822 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.49 OC1=CC=C(C=C1)CC(=O)OC ACS016992 [0,1,0,0,1,0|1,0,0]=3 31 B12R1.50 BrC=1C=C(C=CC1)CC(=O)OC ACS012805 [0,1,0,0,1,0|1,0,0]=3 32 B12R1.50 COC(CC1=CC(=CC=C1)N)=O ACS016955 [0,1,0,0,1,0|1,0,0]=3 33 B12R1.50 Cc1cccc(c1)CC(=O)OC ACS016999 [0,1,0,0,1,0|1,0,0]=3 34 B12R1.50 FC=1C=C(C=CC1)CC(=O)OC ACF016984 [0,1,0,0,1,0|1,0,0]=3 35 B12R1.50 IC=1C=C(C=CC1)CC(=O)OC ACS012866 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.50 NC=1C=C(C=CC1)CC(=O)OC ACS012773 [0,1,0,0,1,0|1,0,0]=3 37 B14R1.743 COC(CC(CC1=CC=CC=C1)=O)=O ACS023819 [0,1,0,0,0,1|2,0,0]=4 38 B14R1.502 CCOC(=O)C#Cc1ccc(cc1)Cl ACS017165 [0,2,0,0,0,0|1,0,1]=4 39 B14R1.502 ClC1=CC=C(C=CC(=O)OCC)C=C1 ACS016915 [0,2,0,0,0,0|1,0,1]=4 40 B14R1.502 FC1=CC=C(C=C1)CCC(=O)OCC ACF012730 [0,2,0,0,0,0|1,0,0]=3 41 B14R1.502 NC1=CC=C(C=C1)CCC(=O)OCC ACS019124 [0,2,0,0,0,0|1,0,0]=3 42 B14R1.598 OC1=C(OCC(=O)OCC)C=CC=C1 ACS020072 [0,2,0,0,0,0|2,0,0]=4 43 B12R2.41 C1CNCCC2=C1C=CC=C2 ACS017182 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.2057 C(C1=CC=CC=C1)NC2CC2 ACS023678 [1,0,0,1,0,0|1,0,1]=4 45 B12R2.24 c1ccc2c(c1)CCC(=O)O2 ACS015483 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.32 ClCC=1OC2=C(N1)C=CC=C2 ACS019240 [0,0,0,1,1,0|2,0,0]=4 47 B14R2.19 C(C1=CC=CC=C1)N2CC(CC2)=O ACS011292 [0,0,0,1,0,1|1,0,0]=3 48 B14R2.19 C(C1=CC=CC=C1)[C@@H]2NC(OC2)=O ACS010978 [0,0,0,1,0,1|2,0,0]=4 49 B14R2.68 C1(=CC=CC=C1)N2CCC(CC2)=O ACS019462 [0,0,0,1,0,1|1,0,0]=3 50 B10R1.18 BrC(CC1=CC=CC=C1)C ACS015572 [1,0,0,0,1,0|1,0,1]=4 51 B10R1.18 C(C)(C)OC1=CC=CC=C1 ACS014743 [1,0,0,0,1,0|1,0,1]=4 52 B10R1.18 C1(=CC=CC=C1)CC(=O)O ACS012991 [1,0,0,0,1,0|1,0,0]=3 53 B10R1.18 ClC(=O)OC1=CC=CC=C1 ACS017180 [1,0,0,0,1,0|1,0,0]=3 54 B10R1.18 N1=C(C=CC=C1)CC(=O)O ACS015242 [1,0,0,0,1,0|2,0,0]=4 55 B10R1.18 N1=CC=C(C=C1)CC(=O)O ACS015243 [1,0,0,0,1,0|2,0,0]=4 56 B10R1.15 BrCC(=O)C1=CC=CC=C1 ACS014488 [0,0,0,0,2,0|1,0,0]=3 57 B10R1.15 C(C)(CC)C1=CC=CC=C1 ACS016273 [0,0,0,0,2,0|1,0,1]=4 58 B10R1.15 C(C)[C@@H](C1=CC=CC=C1)N ACS010872 [0,0,0,0,2,0|1,0,1]=4 59 B10R1.15 C(C1=CC=CC=C1)(=O)OC ACS012777 [0,0,0,0,2,0|1,0,0]=3 60 B10R1.15 ClCC(=O)C1=CC=CC=C1 ACS010471 [0,0,0,0,2,0|1,0,0]=3 61 B10R1.15 FCC(=O)C1=CC=CC=C1 ACF015840 [0,0,0,0,2,0|1,0,0]=3 62 B10R1.15 ICC(=O)C1=CC=CC=C1 ACS015855 [0,0,0,0,2,0|1,0,0]=3 63 B10R1.15 NCC(=O)C1=CC=CC=C1 ACS023930 [0,0,0,0,2,0|1,0,0]=3