0 B8R1.11 CSc1nccn1C T8612 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 CN1CCCC1=O T5851 [1,0,0,0,0,0|0,0,3]=4 2 B7R1.4 Cn1ccnc1S T0840 [1,0,0,0,0,0|1,1,0]=3 3 B7R1.4 Cn1sccc1=O T19774 [1,0,0,0,0,0|1,0,0]=2 4 B7R1.4 Cn1sccc1=O T28029 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.22 Cc1cc(C)c(C=O)[nH]1 T21347 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.33 Cn1cncc1CCN T4940 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.41 CC(=O)c1occc1O T32217 [0,1,0,0,0,0|3,0,0]=4 8 B9R1.2 CNc1cccc(C)c1 T0557 [0,0,0,0,0,1|3,0,0]=4 9 B9R1.2 COc1cccc(C)c1 T21278 [0,0,0,0,0,1|3,0,0]=4 10 B9R1.2 Cc1cccc(c1)[I]=O T32169 [0,0,0,0,0,1|2,0,0]=3 11 B9R1.2 Fc1cccc(C=O)c1 T21180 [0,0,0,0,0,1|2,0,0]=3 12 B9R1.2 Oc1cccc(C=O)c1 T4778 [0,0,0,0,0,1|2,0,0]=3 13 B6R0.6 CCC/C=C/C=O T8099 [1,0,1,0,0,0|0,0,2]=4 14 B6R1.2 C[c-]1cccc1 T20558 [2,0,0,0,0,0|1,0,0]=3 15 B6R1.2 Cn1ccnc1 T0575 [2,0,0,0,0,0|1,0,0]=3 16 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,1,0,0,0,0|1,0,0]=3 17 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,1,0,0,0,0|1,0,0]=3 18 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,1,0,0,0,0|1,0,1]=4 19 B8R1.7 CC(=O)c1cccs1 T29331 [1,1,0,0,0,0|1,0,0]=3 20 B8R1.7 CC(=O)c1nccs1 T8042 [1,1,0,0,0,0|1,0,1]=4 21 B8R1.7 OC(=O)c1cc[nH]n1 T7842 [1,1,0,0,0,0|1,0,1]=4 22 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [1,1,0,0,0,0|0,0,0]=2 23 B8R1.7 OC(=O)c1ccco1 T5544 [1,1,0,0,0,0|1,0,0]=3 24 B8R1.7 OC(=O)c1ccoc1 T5277 [1,1,0,0,0,0|2,0,0]=4 25 B8R1.18 CC1=CC(=O)OC1=O TN6957 [1,1,0,0,0,0|2,0,0]=4 26 B8R1.18 CC1OC(C)=CC1=O T22309 [1,1,0,0,0,0|2,0,0]=4 27 B8R1.18 CN1CC(=O)NC1=O T5236 [1,1,0,0,0,0|1,0,1]=4 28 B8R1.18 O=C1NC(CN1C)=O T28222 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.30 Cn1ccc(=O)c(c1)C#N TN4488 [0,1,0,0,0,1|1,0,1]=4 30 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,1,0,0,0,1|2,0,0]=4 31 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,1,0,0,0,1|2,0,0]=4 32 B10R1.113 CN1CC(C(O)=O)=CCC1 TN1398 [0,1,0,0,0,1|0,0,2]=4 33 B10R1.113 CN1CCC=C(C1)C(O)=O T5799 [0,1,0,0,0,1|0,0,2]=4 34 B10R1.113 C[n+]1cccc(c1)C(N)=O T4853 [0,1,0,0,0,1|0,0,1]=3 35 B10R1.113 C[n+]1cccc(c1)C(O)=O T2927 [0,1,0,0,0,1|0,0,1]=3 36 B10R1.113 C[n+]1cccc(c1)C([O-])=O T2887 [0,1,0,0,0,1|0,0,1]=3 37 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,1,0,0,0,1|1,0,0]=3 38 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,1,0,0,0,1|1,0,1]=4 40 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [0,1,0,0,0,1|2,0,0]=4 41 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.113 NC1CC(=CC=C1)C(O)=O T24080 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.113 OC(=O)c1ccc[n+]([O-])c1 T0067 [0,1,0,0,0,1|1,0,1]=4 45 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [0,1,0,0,0,1|2,0,0]=4 48 B10R1.172 CCc1cccc(C=C)c1 T34728 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.172 CCc1cccc(C=O)c1 T21173 [0,1,0,0,0,1|1,0,0]=3 50 B10R1.172 O=Cc1cccc(c1)C#N T21188 [0,1,0,0,0,1|1,0,1]=4 51 B10R1.176 Oc1ccc(C=O)cc1O T3018 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.4 C[n+]1ccccc1/C=N/O T1111 [0,1,0,0,0,1|0,0,2]=4 53 B10R1.4 C[n+]1ccccc1/C=N/O T22404 [0,1,0,0,0,1|0,0,2]=4 54 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.61 CC(=O)c1ccccc1C T36788 [0,1,0,0,0,1|1,0,0]=3 57 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.61 Cc1ccccc1C(O)=O T8068 [0,1,0,0,0,1|1,0,0]=3 60 B10R1.61 NC(=O)c1ccccc1O T0004 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.61 OC(=O)c1ccccc1I T20881 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.61 OC(=O)c1ccccc1O T0649 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.61 OC(=O)c1ccccc1O T27597 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.61 OC(=O)c1ncccc1O T5986 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.61 OC(=O)c1ncccc1S T12929 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.61 Oc1ccccc1C([O-])=O T0335 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.61 Oc1ccccc1C([O-])=O T20668 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.59 CC(=O)c1cc(C)oc1C T20546 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.64 Cn1cncc1CC(O)=O T13819 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.64 Cn1cncc1CC(O)=O T13820 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.194 Cc1ncc(n1C)[N+]([O-])=O T0874 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.2 O=Cc1ccccc1 TWO2659 [0,0,1,1,0,0|1,0,1]=4 73 B8R1.5 On1ccccc1=S T12593 [0,0,1,1,0,0|1,1,0]=4 74 B8R1.5 [O-]n1ccccc1=S T26004 [0,0,1,1,0,0|1,1,0]=4 75 B8R1.4 Cc1cccc(O)c1 T33229 [0,0,1,1,0,0|1,0,1]=4 76 B8R1.4 Cc1cccc([O-])c1 T33983 [0,0,1,1,0,0|1,0,1]=4