0 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O DB01650 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.91 O=C(O)CCC1=CC=CC=C1 DB02024 [1,0,0,0,0,0|0,0,2]=3 2 B13R1.164 C(C(=O)O)=CC1=C(O)C=C(O)C=C1 DB01704 [0,1,0,0,0,0|0,0,0]=1 3 B13R1.202 [C@@H](C)(CC1=CC=CC=C1O)C(=O)O DB01662 [0,1,0,0,0,0|0,0,2]=3 4 B13R1.3787 CC1=CC=CC(C)=C1OCC(=O)O DB07634 [0,1,0,0,0,0|2,0,1]=4 5 B13R2.435 NC(=[NH2+])C1=CC2=C(C=CC=C2)S1 DB04446 [0,0,0,1,0,0|2,1,0]=4 6 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 DB03028 [0,0,0,1,0,0|2,0,0]=3 7 B13R2.435 OB(O)C1=CC2=C(C=CC=C2)S1 DB04360 [0,0,0,1,0,0|1,1,1]=4 8 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 DB07661 [0,0,0,1,0,0|1,0,0]=2 9 B10R1.4 C=CCC1=CC=CC=C1O DB02534 [2,0,0,0,0,0|0,0,1]=3 10 B10R1.17 O=CNCC1=CC=CC=C1 DB02481 [2,0,0,0,0,0|1,0,1]=4 11 B10R1.17 O=COCC1=CC=CC=C1 DB04569 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.17 O=C\C=C\C1=CC=CC=C1 DB14184 [2,0,0,0,0,0|0,0,0]=2 13 B10R1.17 OC\C=C\C1=CC=CC=C1 DB14186 [2,0,0,0,0,0|0,0,1]=3 14 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 DB03400 [1,1,0,0,0,0|0,0,2]=4 15 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 DB03210 [1,1,0,0,0,0|0,0,2]=4 16 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 DB03897 [1,1,0,0,0,0|0,0,2]=4 17 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 DB04066 [1,1,0,0,0,0|0,0,0]=2 18 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O DB02556 [1,1,0,0,0,0|0,0,2]=4 19 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O DB04584 [1,1,0,0,0,0|0,0,0]=2 20 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 DB03884 [1,1,0,0,0,0|0,0,1]=3 21 B12R1.43 [C@H](C)(CC1=CC=CC=C1)C(=O)O DB07673 [1,1,0,0,0,0|0,0,2]=4 22 B12R1.43 [C@H](O)(CC1=CC=CC=C1)C(=O)O DB02494 [1,1,0,0,0,0|0,0,2]=4 23 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 DB08327 [0,1,0,0,1,0|0,0,1]=3 24 B14R1.160 CC(=O)ONC(=O)C1=C(O)C=CC=C1 DB03667 [0,1,0,0,0,1|2,0,0]=4 25 B14R1.160 NC1=CC=CC=C1C(=O)CCC(=O)O DB08060 [0,1,0,0,0,1|1,0,1]=4 26 B14R1.161 O=C(O)C(=O)\C=C\C1=CC=CC=C1O DB08636 [0,1,0,0,0,1|0,0,0]=2 27 B14R1.727 O=C(\C=C\C1=CC=C(Cl)C=C1Cl)NO DB07818 [0,2,0,0,0,0|1,0,0]=3 28 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=N1 DB04267 [0,0,1,1,0,0|2,0,0]=4 29 B12R2.24 O=C1C=CC2=CC=CC=C2N1 DB04745 [1,0,0,1,0,0|1,0,0]=3 30 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DB04665 [1,0,0,1,0,0|0,0,0]=2 31 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 DB02428 [0,0,0,1,0,1|1,0,0]=3 32 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 DB07950 [0,1,0,1,0,0|1,0,1]=4 33 B10R1.66 O=C(O)\C=C\C1=CNC=N1 DB01971 [1,0,0,0,1,0|2,0,0]=4 34 B10R1.61 NC1=CC=CC=C1C(=O)O DB04166 [0,0,0,0,2,0|1,0,0]=3 35 B10R1.61 O=C(O)C1=C(S)C=CC=C1 DB14026 [0,0,0,0,2,0|0,1,0]=3