0 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 E72174 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.286 COC1=C(O)C=CC(CCN)=C1 52802 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.189 COC1=CC(CCN)=CC=C1 64359 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.189 COC1=CC=CC(N=C=O)=C1 D91179 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.192 NCCC1=CC(O)=C(O)C=C1 F21485 [1,0,0,0,0,0|1,0,1]=3 5 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 D91410 [0,0,0,1,0,0|1,0,2]=4 6 B13R2.449 COCC1=CC2=C(C=C1)OCC2 C14578 [0,0,0,1,0,0|2,0,1]=4 7 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 V10007 [0,0,0,1,0,0|1,0,1]=3 8 B13R2.449 O\N=C\C1=CC2=C(C=C1)OCO2 S11732 [0,0,0,1,0,0|2,0,1]=4 9 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [2,0,0,0,0,0|0,0,2]=4 10 B10R1.172 C=CC1=CC=CC(OC)=C1 75906 [2,0,0,0,0,0|0,0,0]=2 11 B10R1.172 CCC1=CC=CC(CC)=C1 A10815 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [2,0,0,0,0,0|1,0,0]=3 13 B10R1.176 CCC1=CC(O)=C(N)C=C1 D82162 [2,0,0,0,0,0|1,0,1]=4 14 B10R1.30 COC1=C(F)C=CC(C)=C1 22298 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.30 COC1=C(F)C=CC(N)=C1 AT11971 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.280 COC1=C(C)C(CC#N)=CC=C1 C90933 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.382 C#CCOC1=CC(OC)=CC=C1 C78211 [1,1,0,0,0,0|0,0,2]=4 18 B12R1.382 COC1=CC(CCCN)=CC=C1 C78001 [1,1,0,0,0,0|0,0,2]=4 19 B12R1.382 COC1=CC=CC(OCCBr)=C1 98064 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.435 C=C[C@H](O)C1=CC=CC(OC)=C1 D84378 [1,1,0,0,0,0|0,0,0]=2 21 B12R1.435 CN[C@@H](C)C1=CC=CC(OC)=C1 N11999 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 C14195 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 L10046 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.438 CSC1=CC(CC(=O)O)=CC=C1 W18883 [1,1,0,0,0,0|1,1,0]=4 25 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12631 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 H12011 [1,1,0,0,0,0|0,0,2]=4 27 B12R1.56 COC1=C(O)C=CC(C(N)=S)=C1 76954 [1,1,0,0,0,0|1,0,0]=3 28 B12R1.654 COC1=C(F)C(C=O)=CC=C1F 97121 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 N11086 [0,2,0,0,0,0|0,0,2]=4 30 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 35384 [0,2,0,0,0,0|1,0,1]=4 31 B14R1.439 CCOC1=C(O)C=CC(CC(=O)O)=C1 H10405 [0,2,0,0,0,0|1,0,0]=3 32 B14R1.3651 COC1=C(OC)C=C(CC(N)=S)C=C1 A10508 [0,2,0,0,0,0|1,0,0]=3 33 B14R1.3651 COC1=C(OC)C=C(NC(C)=O)C=C1 L10168 [0,2,0,0,0,0|1,0,1]=4 34 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 C77910 [0,2,0,0,0,0|0,0,2]=4 35 B14R1.42 COC1=C(Br)C=CC(\C=C\C(=O)O)=C1 98316 [0,2,0,0,0,0|1,0,1]=4 36 B14R1.42 COC1=C(F)C=CC(CCC(=O)O)=C1 F52909 [0,2,0,0,0,0|1,0,1]=4 37 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 75930 [0,2,0,0,0,0|0,0,1]=3 38 B14R1.3236 C\C=C\C1=CC(OC)=C(O)C(OC)=C1 A11371 [0,2,0,0,0,0|0,0,2]=4 39 B12R2.315 COC1=CC=CC2=C1C=NS2 D86294 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.966 O=CC(=O)C1=CC2=C(C=C1)OCO2 75682 [0,1,0,1,0,0|1,0,1]=4 41 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O D97763 [0,1,0,1,0,0|0,0,1]=3