0 B13R2.369 CN1Cc2ccccc2NC1=O M28377 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 Nc1cc2ccccc2cc1N M24775 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 O=C1Oc2ccccc2C=C1O M21324 [0,0,0,0,0,0|0,0,0]=0 3 B13R2.369 O=c1nc2ccccc2nc1=O M27269 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.24 O=C1C=CC2=CC=CC=C2O1 M16582 [1,0,0,0,0,0|0,0,0]=1 5 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [1,0,0,0,0,0|1,0,2]=4 6 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [1,0,0,0,0,0|0,0,2]=3 7 B12R2.24 OC1=CC=C2C=CC=CC2=C1 M11424 [1,0,0,0,0,0|1,0,0]=2 8 B12R2.24 Oc1cnc2ccccc2n1 M28967 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.8239 O=c1ccc2cc(O)c(O)cc2o1 M18396 [0,1,0,0,0,0|2,0,1]=4 10 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M15427 [0,0,1,0,0,0|1,0,2]=4 11 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M15568 [0,0,1,0,0,0|1,0,2]=4 12 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [0,0,1,0,0,0|0,0,2]=3 13 B12R1.43 O=C(O)C(O)Cc1ccccc1 M19335 [0,0,1,0,0,0|0,0,2]=3 14 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 M20030 [0,0,1,0,0,0|0,0,2]=3 15 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 M19976 [0,0,1,0,0,0|0,0,2]=3 16 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 M19939 [0,0,1,0,0,0|0,0,3]=4 17 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O M28293 [0,0,1,0,0,0|1,0,2]=4 18 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [0,0,0,0,1,0|2,0,1]=4 19 B12R2.18 O=C1NC2=CC=CC=C2C1=O M19257 [0,0,0,0,1,0|1,0,1]=3 20 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [1,0,1,0,0,0|1,0,0]=3 21 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [1,0,1,0,0,0|1,0,0]=3 22 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [1,0,1,0,0,0|1,0,0]=3 23 B11R1.91 O=C(O)CCc1ccccc1 M18665 [1,0,1,0,0,0|0,0,2]=4 24 B11R1.91 O=C(O)\C=C\c1ccccc1 M17997 [1,0,1,0,0,0|0,0,0]=2 25 B11R1.91 O=C(O)\C=C\c1ccccc1 M20349 [1,0,1,0,0,0|0,0,0]=2 26 B11R1.86 O=C(O)Cc1ccccc1O M20039 [1,0,1,0,0,0|0,0,1]=3 27 B11R2.20 c1ccc2ncccc2c1 M19758 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 M19693 [0,1,1,0,0,0|0,0,2]=4 29 B13R1.133 O=C(O)C(O)Cc1ccc(O)cc1 M29624 [0,1,1,0,0,0|0,0,2]=4 30 B13R1.133 O=C(O)[C@@H](O)Cc1ccc(O)cc1 M28240 [0,1,1,0,0,0|0,0,2]=4 31 B13R1.133 O=C(O)\C(S)=C\C1=CC=C(I)C=C1 M12710 [0,1,1,0,0,0|0,1,0]=3 32 B13R1.152 N[C@@H](c1ccccc1)[C@@H](O)C(=O)O M20322 [0,1,1,0,0,0|0,0,2]=4 33 B13R2.57 COC1=CC2=CC=CC=C2C=C1 M16659 [1,1,0,0,0,0|1,0,0]=3 34 B13R2.155 Cc1ccc2ccc(=O)oc2c1 M21242 [1,1,0,0,0,0|0,0,0]=2 35 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 M16673 [1,1,0,0,0,0|0,0,0]=2 36 B13R2.155 Oc1ccc2ccc(O)nc2c1 M27524 [1,1,0,0,0,0|1,0,1]=4 37 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 M18076 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 M13169 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.328 O=C1NC(=O)c2ccccc2N1 M21342 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.328 O=c1cc(O)c2ccccc2o1 M22660 [1,1,0,0,0,0|0,0,0]=2 41 B13R2.328 Oc1cc(O)c2ccccc2c1 M23480 [1,1,0,0,0,0|1,0,0]=3 42 B13R2.3683 Cc1ccc2nc(C)ccc2c1 M28145 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 M20367 [1,1,0,0,0,0|0,0,0]=2 44 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)O1 M18887 [1,1,0,0,0,0|0,0,0]=2 45 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 M28682 [1,1,0,0,0,0|1,0,0]=3 46 B13R2.5179 O=c1ccoc2cc(O)ccc12 M20749 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.5179 Oc1cnc2c(O)cccc2c1 M27991 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.5190 O=C1Nc2cc(O)ccc2C1=O M29518 [0,1,0,0,1,0|1,0,1]=4 49 B15R2.984 CC(=O)c1cc2ccccc2oc1=O M22649 [0,2,0,0,0,0|0,0,1]=3 50 B15R2.984 O=C(O)C1=CC2=CC=CC=C2OC1=O M18749 [0,2,0,0,0,0|0,0,0]=2 51 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 M14651 [0,0,1,0,1,0|1,0,0]=3 52 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,0,1,0,1,0|0,0,2]=4 53 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [0,0,1,0,1,0|1,0,1]=4 54 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [0,0,1,0,1,0|0,0,1]=3 55 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [0,0,1,0,1,0|0,0,1]=3 56 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [0,0,1,0,1,0|0,0,1]=3 57 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [1,0,0,0,1,0|2,0,0]=4 58 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [1,0,0,0,1,0|0,0,2]=4 59 B11R2.10 O=C1Cc2ccccc2N1 M22658 [1,0,0,0,1,0|1,0,1]=4 60 B11R2.10 O=C1NC2=CC=CC=C2N1 M15321 [1,0,0,0,1,0|2,0,0]=4