0 B12R2.1081 Brc1cccc2ccccc12 T29891 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 Fc1cccc2ccccc12 T0541 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.1081 Oc1cccc2ccccc12 T10023 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 Oc1cccc2cccnc12 T0404 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.1081 Oc1cccc2cccnc12 T7887 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.1081 Oc1ccnc2ccccc12 T4272 [0,0,0,0,0,0|2,0,0]=2 6 B12R2.1081 Oc1ncnc2ccccc12 TMO2713 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 Sc1cccc2ccccc12 T20404 [0,0,0,0,0,0|1,1,0]=2 8 B13R2.32 O=C1C=Cc2ccccc2C1=O T20410 [0,1,0,0,0,0|1,0,1]=3 9 B13R2.162 Oc1cccc2ccc(=O)[nH]c12 T2291 [0,1,0,0,0,0|0,0,1]=2 10 B13R2.328 Oc1cc(=O)oc2ccccc12 PDK0015 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.328 Oc1cc2ccccc2c(O)c1 TD0092 [0,1,0,0,0,0|1,0,0]=2 12 B13R2.328 Oc1nc(O)c2ccccc2n1 T8020 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.342 C[n+]1cccc2c(N)cccc12 T8760 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.342 ClC1=CCC=C2C(=O)N=CN=C12 T8619 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.342 Nc1cccc2c1cc[nH]c2=O T50044 [0,1,0,0,0,0|2,0,1]=4 16 B13R2.342 Oc1cccc2C(=O)CCCc12 T5662 [0,1,0,0,0,0|1,0,2]=4 17 B13R2.342 Oc1cccc2c(O)nccc12 T7042 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.342 Oc1cccc2c1nccc2Cl T9160 [0,1,0,0,0,0|0,0,0]=1 19 B13R2.371 O=C1C=CC(=O)c2ccccc12 T7048 [0,1,0,0,0,0|1,0,1]=3 20 B13R2.371 Oc1ccc(Cl)c2cccnc12 T0509 [0,1,0,0,0,0|0,0,0]=1 21 B13R2.1613 C#Cc1cccc2ccccc12 T7427 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.1613 ClCc1cccc2ccccc12 T20450 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.5179 Oc1ccc2c(c1)occc2=O T7345 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.5179 Oc1cnc2c(O)cccc2c1 T32291 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.13 Cc1cccc(CC=C)c1O T29470 [0,0,1,0,0,0|2,0,1]=4 26 B11R1.13 Oc1cccc(CC=C)c1O T26596 [0,0,1,0,0,0|1,0,1]=3 27 B11R1.17 Oc1ccccc1/C=C/C=O TN2857 [0,0,1,0,0,0|2,0,0]=3 28 B11R1.17 Oc1ccccc1C=CC=O TN6938 [0,0,1,0,0,0|2,0,0]=3 29 B11R1.53 OC(=O)c1ccccc1C=O TN6514 [0,0,1,0,0,0|3,0,0]=4 30 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,0,0,0,1,0|3,0,0]=4 31 B11R2.106 Oc1ncnc2[nH]cnc12 T1362 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.4 O/N=C/c1ccccc1O T20346 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.4 Oc1ccccc1CC=C T20472 [1,0,1,0,0,0|0,0,1]=3 34 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,0,1,0,0,0|1,0,1]=4 35 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,0,1,0,0,0|1,0,1]=4 36 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,0,1,0,0,0|1,0,0]=3 37 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,0,1,0,0,0|1,0,0]=3 38 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,0,1,0,0,0|1,0,1]=4 39 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,0,1,0,0,0|1,0,1]=4 40 B10R1.61 OC(=O)c1ncccc1O T5986 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.61 OC(=O)c1ncccc1S T12929 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.121 COc1ccccc1C=CC=O T7452 [0,1,1,0,0,0|2,0,0]=4 43 B12R1.125 OC(=O)/C=C/c1ccccc1O T7991 [0,1,1,0,0,0|2,0,0]=4 44 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 T19408 [0,1,1,0,0,0|1,0,0]=3 45 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,1,1,0,0,0|1,0,0]=3 46 B12R1.226 OC(=O)/C=C/c1cccc(F)c1 T21182 [0,1,1,0,0,0|2,0,0]=4 47 B12R1.261 OC(=O)c1cccnc1C(O)=O T4096 [0,1,1,0,0,0|2,0,0]=4 48 B12R2.24 Clc1ccc2ccccc2c1 T20317 [1,1,0,0,0,0|1,0,0]=3 49 B12R2.24 O=c1ccc2ccccc2o1 T0775 [1,1,0,0,0,0|1,0,0]=3 50 B12R2.24 Oc1ccc2ccccc2c1 T0671 [1,1,0,0,0,0|1,0,0]=3 51 B12R2.1 OCc1c[nH]c2ccccc12 T2947 [0,1,0,0,1,0|2,0,0]=4 52 B12R2.315 O=Cc1cccc2[nH]ccc12 TN6883 [0,1,0,0,1,0|1,0,1]=4 53 B14R2.4513 Oc1ccc2ccc(=O)oc2c1O T2851 [0,2,0,0,0,0|1,0,0]=3 54 B14R2.7724 CC1=CC(=O)c2ccccc2C1=O T0449 [0,2,0,0,0,0|1,0,1]=4 55 B14R2.7724 Cc1cc(Br)c(O)c2ncccc12 T17097 [0,2,0,0,0,0|0,0,0]=2 56 B14R2.7724 ClC1=CC(=O)c2ccccc2C1=O T7075 [0,2,0,0,0,0|1,0,1]=4 57 B14R2.7724 OC1=CC(=O)c2ccccc2C1=O T2969 [0,2,0,0,0,0|1,0,1]=4 58 B14R2.7724 Oc1c(Br)cc(Br)c2cccnc12 T0701 [0,2,0,0,0,0|0,0,0]=2 59 B14R2.7724 Oc1c(Cl)cc(Cl)c2cccnc12 T0500 [0,2,0,0,0,0|0,0,0]=2 60 B14R2.7724 Oc1c(I)cc(Cl)c2cccnc12 T0876 [0,2,0,0,0,0|0,0,0]=2 61 B14R2.7724 Oc1c(I)cc(I)c2cccnc12 T0513 [0,2,0,0,0,0|0,0,0]=2 62 B14R2.29369 Brc1ccc2C(=O)C(=O)C=Cc2c1 T8877 [0,2,0,0,0,0|1,0,1]=4 63 B14R2.142 Oc1cccc2ccc(C=O)nc12 T2290 [0,2,0,0,0,0|0,0,0]=2 64 B14R2.8045 Cc1nc2c(O)cccc2c(=O)[nH]1 T6912 [0,2,0,0,0,0|1,0,0]=3 65 B14R2.8235 Cc1ccc2oc(=O)cc(O)c2c1 Fr12277 [0,2,0,0,0,0|2,0,0]=4 66 B14R2.1146 COc1cc(=O)oc2ccccc12 Fr12290 [0,2,0,0,0,0|2,0,0]=4 67 B14R2.28480 Oc1cc(O)c2c(c1)occc2=O T5S1805 [0,2,0,0,0,0|2,0,0]=4 68 B14R2.29365 Oc1cc(O)c2ccc(=O)oc2c1 T37345 [0,2,0,0,0,0|2,0,0]=4 69 B14R2.29365 Oc1ccc2c(O)cc(=O)oc2c1 T4137 [0,2,0,0,0,0|2,0,0]=4 70 B14R2.8051 Oc1cccc2C(=O)C=CC(=O)c12 T4010 [0,2,0,0,0,0|1,0,0]=3 71 B14R2.1131 Oc1ccc(N=O)c2cccnc12 T7691 [0,2,0,0,0,0|0,0,0]=2 72 B14R2.31359 OC(=O)c1ccnc2ccccc12 T4745 [0,2,0,0,0,0|2,0,0]=4 73 B14R3.164 C1=Cc2cccc3cccc1c23 T7914 [0,1,0,1,0,0|2,0,0]=4 74 B10R2.7 C12=N[Se]N=C1C=CC=C2 T20536 [1,0,0,0,1,0|2,0,0]=4 75 B10R2.7 c1[nH]nc2ccccc12 T2192 [1,0,0,0,1,0|1,0,0]=3 76 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,0,1,0|0,0,1]=3