0 B6R1.2 C[c-]1cccc1 T20558 [0,0,0,0,0,0|2,0,1]=3 1 B6R1.2 Cc1cn[nH]c1 T0765 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 Cn1ccnc1 T0575 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 N=C1CCCS1 T19958 [0,0,0,0,0,0|1,0,3]=4 4 B6R1.2 Nc1nccs1 T0495 [0,0,0,0,0,0|2,0,0]=2 5 B5R1.1 C1CC=CO1 T0654 [1,0,0,0,0,0|0,1,2]=4 6 B5R1.1 c1cc[cH-]c1 T20786 [1,0,0,0,0,0|1,0,0]=2 7 B5R1.1 c1cn[nH]c1 T4842 [1,0,0,0,0,0|2,0,0]=3 8 B5R1.1 c1cnoc1 T7500 [1,0,0,0,0,0|1,1,0]=3 9 B7R1.1 COc1ccoc1 TN2959 [0,1,0,0,0,0|2,1,0]=4 10 B7R1.2 C=C1OC(=O)C=C1 TN2420 [0,1,0,0,0,0|0,2,0]=3 11 B7R1.2 CC1=CCC(=O)O1 T7995 [0,1,0,0,0,0|0,2,1]=4 12 B7R1.2 Cc1cc(N)no1 T0644 [0,1,0,0,0,0|2,1,0]=4 13 B7R1.2 Cn1ccc(N)n1 T3295 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.2 O=C1NC(=O)C=C1 T4820 [0,1,0,0,0,0|1,1,0]=3 15 B7R1.4 Cn1ccnc1S T0840 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.4 Cn1sccc1=O T19774 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.4 Cn1sccc1=O T28029 [0,1,0,0,0,0|2,0,0]=3 18 B5R0.1 C/C=C/C(O)=O T5301 [0,0,1,0,0,0|0,2,1]=4 19 B5R0.1 ClC(Cl)=CC=C T31434 [0,0,1,0,0,0|2,0,0]=3 20 B5R0.1 [O-]C(=O)/C=C\Cl T29626 [0,0,1,0,0,0|1,2,0]=4 21 B5R0.3 C=CC(=O)C=C T31538 [0,0,1,0,0,0|1,1,0]=3 22 B7R1.3 Cc1ccccn1 T21323 [0,0,0,0,0,1|2,0,0]=3 23 B7R1.3 Clc1cnccn1 T2193 [0,0,0,0,0,1|2,0,0]=3 24 B7R1.3 Nc1nccnn1 T8826 [0,0,0,0,0,1|3,0,0]=4 25 B7R1.3 O=C1NCCC=C1 TN3081 [0,0,0,0,0,1|1,1,1]=4 26 B7R1.3 O=c1cccc[nH]1 T4805 [0,0,0,0,0,1|1,1,0]=3 27 B4R0.2 CSCC=C T5579 [1,0,1,0,0,0|0,0,2]=4 28 B8R1.2 COc1cnccn1 TN6755 [0,1,0,0,0,1|1,1,0]=4 29 B8R1.2 N#Cc1ncccn1 T7451 [0,1,0,0,0,1|2,0,0]=4 30 B8R1.2 NCc1ccccc1 TN3497 [0,1,0,0,0,1|2,0,0]=4 31 B8R1.2 NCc1cccnc1 T1581 [0,1,0,0,0,1|2,0,0]=4 32 B8R1.2 O=Cc1ccccc1 TWO2659 [0,1,0,0,0,1|1,1,0]=4 33 B8R1.2 OCc1ccccc1 T0732 [0,1,0,0,0,1|1,1,0]=4 34 B8R1.2 OCc1ccccn1 T1112 [0,1,0,0,0,1|1,1,0]=4 35 B8R1.2 OCc1cccnc1 T1299 [0,1,0,0,0,1|1,1,0]=4 36 B8R1.3 Cc1cnc(C)cn1 T4801 [0,1,0,0,0,1|2,0,0]=4 37 B8R1.3 Clc1ccc(Cl)cc1 T7431 [0,1,0,0,0,1|2,0,0]=4 38 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,1,0,0,0,1|2,0,0]=4 39 B8R1.3 O=c1ccc(=O)[nH][nH]1 T20781 [0,1,0,0,0,1|1,1,0]=4 40 B8R1.4 Cc1cccc(O)c1 T33229 [0,1,0,0,0,1|1,1,0]=4 41 B8R1.4 Cc1cccc([O-])c1 T33983 [0,1,0,0,0,1|1,1,0]=4 42 B8R1.4 Fc1cccc(Br)c1 T30352 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.4 Fc1cccc(I)c1 T21183 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.4 Fc1cccc(S)c1 T21187 [0,1,0,0,0,1|1,0,0]=3 45 B8R1.4 Ic1cccc(I)c1 T21145 [0,1,0,0,0,1|2,0,0]=4 46 B8R1.4 Nc1ccnc(O)n1 T4832 [0,1,0,0,0,1|1,1,0]=4 47 B8R1.4 O=c1cc[nH]c(=O)[nH]1 T0069 [0,1,0,0,0,1|1,1,0]=4 48 B8R1.4 O=c1cc[nH]c(=[Se])[nH]1 T19103 [0,1,0,0,0,1|1,1,0]=4 49 B8R1.4 Oc1cccc(I)c1 T21200 [0,1,0,0,0,1|1,1,0]=4 50 B8R1.4 Oc1cccc(O)n1 T4720 [0,1,0,0,0,1|1,1,0]=4 51 B8R1.4 Oc1ccnc(O)c1 T7963 [0,1,0,0,0,1|1,1,0]=4 52 B8R1.4 Sc1nccc(=O)[nH]1 T1310 [0,1,0,0,0,1|1,0,0]=3 53 B8R1.5 Cc1ncccc1O T5901 [0,1,0,0,0,1|1,1,0]=4 54 B8R1.5 Nc1ccccc1I T20285 [0,1,0,0,0,1|2,0,0]=4 55 B8R1.5 Nc1ccncc1N T4497 [0,1,0,0,0,1|2,0,0]=4 56 B8R1.5 Nc1ccncc1N T4497L [0,1,0,0,0,1|2,0,0]=4 57 B8R1.5 Nc1ncccc1O T7923 [0,1,0,0,0,1|1,1,0]=4 58 B8R1.5 Oc1coccc1=O TL0015 [0,1,0,0,0,1|0,2,0]=4 59 B8R1.5 On1ccccc1=S T12593 [0,1,0,0,0,1|1,0,1]=4 60 B8R1.5 [O-]n1ccccc1=S T26004 [0,1,0,0,0,1|1,0,1]=4 61 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,2,0,0,0,0|0,2,0]=4 62 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,2,0,0,0,0|0,1,0]=3 63 B8R1.1 NCc1cc(=O)[nH]s1 T28965 [0,2,0,0,0,0|2,0,0]=4 64 B8R1.7 CC(=O)c1cccs1 T29331 [0,2,0,0,0,0|0,1,0]=3 65 B8R1.7 CC(=O)c1nccs1 T8042 [0,2,0,0,0,0|1,1,0]=4 66 B8R1.7 OC(=O)c1ccc[nH]1 T4716 [0,2,0,0,0,0|1,1,0]=4 67 B8R1.7 OC(=O)c1ccco1 T5544 [0,2,0,0,0,0|0,2,0]=4 68 B8R1.11 CSc1nccn1C T8612 [0,2,0,0,0,0|2,0,0]=4 69 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,2,0,0,0,0|0,2,0]=4 70 B6R1.1 C1=CC=CC=C1 T12445 [0,0,1,1,0,0|2,0,0]=4 71 B6R1.1 c1cncnc1 T4809 [0,0,1,1,0,0|2,0,0]=4