0 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 E72174 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.286 COC1=C(O)C=CC(CCN)=C1 52802 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.189 COC1=CC(CCN)=CC=C1 64359 [1,0,0,0,0,0|1,0,2]=4 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|1,0,2]=4 5 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 D91410 [0,0,0,1,0,0|1,0,1]=3 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|1,0,2]=4 8 B13R2.449 O\N=C\C1=CC2=C(C=C1)OCO2 S11732 [0,0,0,1,0,0|2,0,0]=3 9 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [2,0,0,0,0,0|0,0,2]=4 10 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [2,0,0,0,0,0|1,0,1]=4 11 B10R1.172 C=CC1=CC=CC(OC)=C1 75906 [2,0,0,0,0,0|0,0,0]=2 12 B10R1.172 CCC1=CC=CC(CC)=C1 A10815 [2,0,0,0,0,0|1,0,1]=4 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 B12R1.382 COC1=CC(CCCN)=CC=C1 C78001 [1,1,0,0,0,0|0,0,2]=4 17 B12R1.382 COC1=CC=CC(OCCBr)=C1 98064 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.435 C=C[C@H](O)C1=CC=CC(OC)=C1 D84378 [1,1,0,0,0,0|0,0,2]=4 19 B12R1.435 CN[C@@H](C)C1=CC=CC(OC)=C1 N11999 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.435 COC1=CC(\C(N)=N\O)=CC=C1 W10708 [1,1,0,0,0,0|2,0,0]=4 21 B12R1.438 COC1=CC(NC(=N)N)=CC=C1 C14195 [1,1,0,0,0,0|2,0,0]=4 22 B12R1.438 COC1=CC=CC(NC(N)=O)=C1 L10046 [1,1,0,0,0,0|2,0,0]=4 23 B12R1.19 CC(=O)NC1=CC(O)=C(Cl)C=C1 E72215 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.367 CC1=C(O)C=CC(C(=O)CBr)=C1 C15775 [1,1,0,0,0,0|1,0,1]=4 25 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 H12011 [1,1,0,0,0,0|0,0,2]=4 26 B12R1.56 COC1=C(O)C=CC(C(N)=S)=C1 76954 [1,1,0,0,0,0|1,0,0]=3 27 B12R1.654 COC1=C(C)C(OC)=C(Br)C=C1 A12298 [1,1,0,0,0,0|2,0,0]=4 28 B12R1.654 COC1=C(F)C(C=O)=CC=C1F 97121 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.41 COC1=C(Br)C=CC(C(=O)N(C)C)=C1 C91398 [0,2,0,0,0,0|2,0,0]=4 30 B14R1.358 COC(=O)C1=CC(Br)=C(Cl)C(OC)=C1 F21435 [0,2,0,0,0,0|2,0,0]=4 31 B14R1.358 COC(=O)C1=CC(OC)=C(Cl)C(C)=C1 D87086 [0,2,0,0,0,0|2,0,0]=4 32 B14R1.436 CCCC1=C(O)C=CC(C(=O)OC)=C1 23579 [0,2,0,0,0,0|2,0,0]=4 33 B14R1.1864 CC[C@H](N)C1=CC(OC)=C(OC)C=C1 N11086 [0,2,0,0,0,0|0,0,2]=4 34 B14R1.1864 COC1=C(OC)C=C(C(=O)C=O)C=C1 35384 [0,2,0,0,0,0|1,0,0]=3 35 B14R1.439 CCOC1=C(O)C=CC(CC(=O)O)=C1 H10405 [0,2,0,0,0,0|1,0,1]=4 36 B14R1.3651 COC1=C(OC)C=C(CC(N)=S)C=C1 A10508 [0,2,0,0,0,0|1,0,1]=4 37 B14R1.3651 COC1=C(OC)C=C(NC(C)=O)C=C1 L10168 [0,2,0,0,0,0|1,0,0]=3 38 B14R1.793 COC1=C(OC)C=C(CCCN)C=C1 C77910 [0,2,0,0,0,0|0,0,2]=4 39 B14R1.42 COC1=C(Br)C=CC(\C=C\C(=O)O)=C1 98316 [0,2,0,0,0,0|1,0,1]=4 40 B14R1.42 COC1=C(O)C=CC(\C=C\C(C)=O)=C1 75930 [0,2,0,0,0,0|0,0,0]=2 41 B14R1.3236 C\C=C\C1=CC(OC)=C(O)C(OC)=C1 A11371 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.653 COC1=CC=C(C=O)C(I)=C1O F16201 [0,0,1,1,0,0|2,0,0]=4 43 B12R2.44 CCC1=CC2=C(C=C1)NC=C2 71063 [1,0,0,1,0,0|2,0,0]=4 44 B12R2.44 COC1=CC2=C(C=C1)ON=C2 O11466 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 Y10255 [0,1,0,1,0,0|1,0,1]=4 46 B14R2.966 O=CC(=O)C1=CC2=C(C=C1)OCO2 75682 [0,1,0,1,0,0|1,0,0]=3 47 B14R2.2167 COC1=C(Cl)C=C2CCC(=O)C2=C1 67471 [0,1,0,1,0,0|1,0,1]=4 48 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O D97763 [0,1,0,1,0,0|0,0,1]=3