0 B6R1.2 CC1=NCCN1 T21052 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 C[c-]1cccc1 T20558 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 Cc1cn[nH]c1 T0765 [0,0,0,0,0,0|0,0,0]=0 3 B6R1.2 Cn1ccnc1 T0575 [0,0,0,0,0,0|2,0,0]=2 4 B5R1.1 C1CC=CO1 T0654 [1,0,0,0,0,0|2,0,1]=4 5 B5R1.1 c1cc[cH-]c1 T20786 [1,0,0,0,0,0|2,0,0]=3 6 B5R1.1 c1cn[nH]c1 T4842 [1,0,0,0,0,0|0,0,0]=1 7 B5R1.1 c1cnoc1 T7500 [1,0,0,0,0,0|1,0,0]=2 8 B5R1.1 c1nn[nH]n1 T8520 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 COc1ccoc1 TN2959 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.2 CC1=CCC(=O)O1 T7995 [0,1,0,0,0,0|3,0,0]=4 11 B7R1.2 Cc1cc(N)no1 T0644 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.2 Cn1ccc(N)n1 T3295 [0,1,0,0,0,0|3,0,0]=4 13 B7R1.4 Cn1ccnc1S T0840 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.1 CC(C)=CCO T4747 [0,0,1,0,0,0|2,0,1]=4 15 B5R0.1 CC(C)C=NO T4930 [0,0,1,0,0,0|1,0,2]=4 16 B5R0.3 C=CC(=O)C=C T31538 [0,0,1,0,0,0|3,0,0]=4 17 B7R1.3 Cc1ccccn1 T21323 [0,0,0,0,0,1|2,0,0]=3 18 B7R1.3 Clc1cnccn1 T2193 [0,0,0,0,0,1|2,0,0]=3 19 B7R1.3 Nc1nccnn1 T8826 [0,0,0,0,0,1|3,0,0]=4 20 B7R1.3 O=c1cccc[nH]1 T4805 [0,0,0,0,0,1|3,0,0]=4 21 B4R0.1 CC(=O)C=O T19536 [1,0,1,0,0,0|2,0,0]=4 22 B4R0.1 CC(=O)NO T1592 [1,0,1,0,0,0|2,0,0]=4 23 B4R0.1 CC(N)C=O T29820 [1,0,1,0,0,0|1,0,1]=4 24 B4R0.1 COC(C)=N T24458 [1,0,1,0,0,0|2,0,0]=4 25 B4R0.1 NNC(N)=N T0358 [1,0,1,0,0,0|2,0,0]=4 26 B4R0.1 NNC(N)=N T34066 [1,0,1,0,0,0|2,0,0]=4 27 B6R0.3 CC(=O)C(/C)=N/O T2176 [0,1,1,0,0,0|2,0,0]=4 28 B8R1.2 COc1cnccn1 TN6755 [0,1,0,0,0,1|1,0,0]=3 29 B8R1.2 NCc1ccccc1 TN3497 [0,1,0,0,0,1|2,0,0]=4 30 B8R1.2 NCc1cccnc1 T1581 [0,1,0,0,0,1|1,0,0]=3 31 B8R1.2 OCc1ccccc1 T0732 [0,1,0,0,0,1|2,0,0]=4 32 B8R1.2 OCc1ccccn1 T1112 [0,1,0,0,0,1|2,0,0]=4 33 B8R1.2 OCc1cccnc1 T1299 [0,1,0,0,0,1|1,0,0]=3 34 B8R1.3 Cc1cnc(C)cn1 T4801 [0,1,0,0,0,1|1,0,0]=3 35 B8R1.3 Nc1ccc(Cl)nc1 T7234 [0,1,0,0,0,1|2,0,0]=4 36 B8R1.4 Cc1cccc(O)c1 T33229 [0,1,0,0,0,1|2,0,0]=4 37 B8R1.4 Cc1cccc([O-])c1 T33983 [0,1,0,0,0,1|2,0,0]=4 38 B8R1.4 Nc1ccnc(O)n1 T4832 [0,1,0,0,0,1|2,0,0]=4 39 B8R1.4 O=c1cc[nH]c(=O)[nH]1 T0069 [0,1,0,0,0,1|2,0,0]=4 40 B8R1.4 O=c1cc[nH]c(=[Se])[nH]1 T19103 [0,1,0,0,0,1|2,0,0]=4 41 B8R1.4 Oc1ccnc(O)c1 T7963 [0,1,0,0,0,1|2,0,0]=4 42 B8R1.4 Sc1nccc(=O)[nH]1 T1310 [0,1,0,0,0,1|2,0,0]=4 43 B8R1.5 Cc1ncccc1O T5901 [0,1,0,0,0,1|2,0,0]=4 44 B8R1.5 Nc1ccncc1N T4497 [0,1,0,0,0,1|2,0,0]=4 45 B8R1.5 Nc1ccncc1N T4497L [0,1,0,0,0,1|2,0,0]=4 46 B8R1.5 Nc1ncccc1O T7923 [0,1,0,0,0,1|2,0,0]=4 47 B8R1.1 NCc1cc(=O)[nH]o1 T20657 [0,2,0,0,0,0|2,0,0]=4 48 B8R1.1 NCc1cc(=O)[nH]s1 T28965 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.7 OC(=O)c1cnsc1 T4675 [0,2,0,0,0,0|1,0,1]=4 50 B8R1.8 NCCc1c[nH]cn1 T0965 [0,2,0,0,0,0|2,0,0]=4 51 B8R1.8 NCCc1c[nH]cn1 T6535 [0,2,0,0,0,0|2,0,0]=4 52 B8R1.8 NCCc1cc[nH]n1 T8599 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.8 NCCc1cnc[nH]1 T6534 [0,2,0,0,0,0|2,0,0]=4 54 B8R1.11 CSc1nccn1C T8612 [0,2,0,0,0,0|2,0,0]=4 55 B8R1.18 CC1=CC(=O)OC1=O TN6957 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.18 CC1=C[C@@H](O)NC1=O T32272 [0,2,0,0,0,0|1,0,0]=3 57 B6R1.1 c1cncnc1 T4809 [0,0,1,1,0,0|2,0,0]=4