0 B10R1.17 C=CCNC1=CC=CC=C1 DB02870 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 NCCCC1=CC=CC=C1 DB04410 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [0,0,0,0,0,0|0,0,2]=2 6 B9R1.8 NCCC1=CC=CC=C1 DB04325 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 O=CCC1=CC=CC=C1 DB02178 [1,0,0,0,0,0|0,0,1]=2 8 B9R1.8 OCCC1=CC=CC=C1 DB02192 [1,0,0,0,0,0|0,0,3]=4 9 B11R1.40 NOC(=O)NC1=CC=CC=C1 DB04157 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [0,1,0,0,0,0|0,0,2]=3 11 B11R2.20 C1=CC=C2C=NC=CC2=C1 DB04329 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.2 NCC1=CC=CC=C1 DB02464 [2,0,0,0,0,0|1,0,1]=4 13 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [1,1,0,0,0,0|0,0,1]=3 14 B10R1.15 O=C(NO)C1=CC=CC=C1 DB01924 [1,1,0,0,0,0|1,0,1]=4 15 B10R1.18 NC(=S)NC1=CC=CC=C1 DB03694 [1,1,0,0,0,0|1,1,0]=4 16 B10R1.66 O=C(O)\C=C\C1=CNC=N1 DB01971 [0,1,0,0,1,0|2,0,0]=4 17 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [0,2,0,0,0,0|0,0,2]=4 18 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [0,2,0,0,0,0|0,0,2]=4 19 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [0,2,0,0,0,0|0,0,2]=4 20 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [0,2,0,0,0,0|0,0,0]=2 21 B12R1.49 [C@@H](N)(C=O)CC1=CC=C(O)C=C1 DB03978 [0,2,0,0,0,0|0,0,2]=4 22 B12R1.3 [C@H](CC)(NC=O)C1=CC=CC=C1 DB07436 [0,2,0,0,0,0|1,0,1]=4 23 B12R1.34 [C@H](C)(C1=CC=CC=C1)N(C)C=O DB04379 [0,2,0,0,0,0|1,0,1]=4 24 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O DB01650 [0,2,0,0,0,0|0,0,0]=2 25 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [0,2,0,0,0,0|0,0,2]=4 26 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O DB04584 [0,2,0,0,0,0|0,0,0]=2 27 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [0,2,0,0,0,0|0,0,1]=3 28 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [0,2,0,0,0,0|0,0,2]=4 29 B12R1.43 [C@H](N)(CC1=CC=CC=C1)C(N)=O DB04029 [0,2,0,0,0,0|0,0,2]=4 30 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [0,2,0,0,0,0|0,0,2]=4 31 B10R2.7 C1=CC2=C(C=C1)NC=C2 DB04532 [1,0,0,1,0,0|1,0,0]=3 32 B10R2.7 C1=CC2=C(C=C1)OC=C2 DB04179 [1,0,0,1,0,0|0,0,1]=3 33 B10R2.7 C1=CC=C2NC=NC2=C1 DB02962 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.24 O=C1C=CC2=CC=CC=C2N1 DB04745 [0,1,0,1,0,0|0,0,0]=2 35 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [0,1,0,1,0,0|0,0,0]=2 36 B12R2.2 C1=CC=C(C2=CN=CN2)C=C1 DB03254 [0,1,0,1,0,0|1,0,0]=3 37 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 DB04605 [0,1,0,1,0,0|2,0,0]=4 38 B12R2.18 O=C1NC2=CC=CC=C2C1=O DB02095 [0,1,0,1,0,0|1,0,0]=3