0 B13R2.3683 Cc1ccc2nc(C)ccc2c1 M28145 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 M20367 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.3683 O=C1C=CC2=C(C=CC(O)=C2)O1 M18887 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 M28682 [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|1,0,1]=3 8 B12R2.24 Oc1cnc2ccccc2n1 M28967 [1,0,0,0,0,0|2,0,1]=4 9 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)C=C2 M14761 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.8235 CC1=CC(=O)OC2=C1C=C(O)C=C2 M18284 [0,1,0,0,0,0|1,0,0]=2 11 B14R2.8235 Cc1ccc2oc(=O)cc(O)c2c1 M22646 [0,1,0,0,0,0|0,0,0]=1 12 B14R2.8239 O=c1ccc2cc(O)c(O)cc2o1 M18396 [0,1,0,0,0,0|1,0,0]=2 13 B14R2.29369 O=C1C=CC2=C(C=CC(Br)=C2)C1=O M24710 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.226 O=C(O)CCc1cccc(O)c1 M20847 [0,0,1,0,0,0|1,0,2]=4 15 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M24580 [0,0,1,0,0,0|1,0,0]=2 16 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 M20834 [0,0,1,0,0,0|1,0,0]=2 17 B12R2.606 Nc1nc2cc(Cl)ccc2o1 M15338 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.606 O=C1Cc2cc(O)ccc2N1 M28142 [0,0,0,0,1,0|2,0,1]=4 19 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 M16810 [0,0,0,0,1,0|2,0,0]=3 20 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 M13202 [0,0,0,0,1,0|2,1,0]=4 21 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 M14670 [0,0,0,0,1,0|2,1,0]=4 22 B12R2.612 ClC1=CNC2=C1C=CC(Br)=C2 M29563 [0,0,0,0,1,0|3,0,0]=4 23 B12R2.612 O=c1nsc2cc(F)ccc12 M20252 [0,0,0,0,1,0|3,0,0]=4 24 B14R2.5634 Cc1ccc2c(c1)OCC(=O)CO2 M26585 [0,0,0,0,0,1|1,0,1]=3 25 B11R1.20 CC(=O)Oc1ccc(O)cc1 M22549 [1,0,1,0,0,0|1,0,1]=4 26 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [1,0,1,0,0,0|1,0,0]=3 28 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [1,0,1,0,0,0|1,0,0]=3 29 B11R1.91 O=C(O)CCc1ccccc1 M18665 [1,0,1,0,0,0|0,0,2]=4 30 B11R1.91 O=C(O)\C=C\c1ccccc1 M17997 [1,0,1,0,0,0|0,0,0]=2 31 B11R1.91 O=C(O)\C=C\c1ccccc1 M20349 [1,0,1,0,0,0|0,0,0]=2 32 B11R2.20 c1ccc2ncccc2c1 M19758 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.5 C=CC(=O)Nc1ccc(OC)cc1 M28407 [0,1,1,0,0,0|1,0,0]=3 34 B13R1.511 CC(=O)\C=C\c1ccc(O)c(O)c1 M20437 [0,1,1,0,0,0|2,0,0]=4 35 B13R1.511 O=C(O)\C=C\c1ccc(O)c(O)c1 M18430 [0,1,1,0,0,0|1,0,0]=3 36 B13R1.643 COc1cccc(CCC(=O)O)c1 M20019 [0,1,1,0,0,0|0,0,2]=4 37 B13R2.57 C=Cc1ccc2ncccc2c1 M28424 [1,1,0,0,0,0|1,0,1]=4 38 B13R2.57 COC1=CC2=CC=CC=C2C=C1 M16659 [1,1,0,0,0,0|1,0,0]=3 39 B13R2.155 Cc1ccc2ccc(=O)oc2c1 M21242 [1,1,0,0,0,0|0,0,0]=2 40 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 M16673 [1,1,0,0,0,0|0,0,0]=2 41 B13R2.155 Oc1ccc2ccc(O)nc2c1 M27524 [1,1,0,0,0,0|1,0,1]=4 42 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 M18076 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 M13169 [1,1,0,0,0,0|1,0,0]=3 44 B13R2.328 O=C1NC(=O)c2ccccc2N1 M21342 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.328 O=c1cc(O)c2ccccc2o1 M22660 [1,1,0,0,0,0|0,0,0]=2 46 B13R2.328 Oc1cc(O)c2ccccc2c1 M23480 [1,1,0,0,0,0|1,0,1]=4 47 B13R2.369 Nc1cc2ccccc2cc1N M24775 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.369 O=C1Oc2ccccc2C=C1O M21324 [1,1,0,0,0,0|0,0,0]=2 49 B13R2.369 O=c1nc2ccccc2nc1=O M27269 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.2121 COC1=CC2=C(C=C1)NC(=O)O2 M18751 [0,1,0,0,1,0|2,0,0]=4 51 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 M16636 [0,2,0,0,0,0|0,0,0]=2 52 B15R2.21329 COc1ccc2c(c1)C(C)=CC(=O)O2 M21303 [0,2,0,0,0,0|0,0,0]=2 53 B15R2.59733 CC1=CC(=O)OC2=CC(O)=C(O)C=C12 M18742 [0,2,0,0,0,0|1,0,0]=3 54 B15R2.1824 COc1cc2oc(=O)ccc2cc1O M19100 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.157 CC(=O)OC1=CC=CC(C)=C1 M19519 [0,0,1,0,1,0|2,0,0]=4 56 B11R1.157 O=C(O)Cc1cccc(O)c1 M19649 [0,0,1,0,1,0|1,0,1]=4 57 B11R1.166 CC(=O)c1ccc(C)cc1O M22656 [0,0,1,0,1,0|1,0,1]=4 58 B11R1.166 Cc1ccc(C(=O)O)c(O)c1 M27523 [0,0,1,0,1,0|2,0,0]=4 59 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [1,0,0,0,1,0|2,0,0]=4 60 B11R2.1 O=C1CCC2=CC=CC=C12 M16089 [1,0,0,0,1,0|0,0,2]=4 61 B11R2.10 O=C1Cc2ccccc2N1 M22658 [1,0,0,0,1,0|1,0,1]=4 62 B11R2.10 O=C1NC2=CC=CC=C2N1 M15321 [1,0,0,0,1,0|2,0,0]=4