0 B14R1.42 COC1=C(F)C=CC(\C=C\C(=O)O)=C1 1954 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.42 COC1=C(O)C=CC(CCC(=O)O)=C1 36106 [0,0,0,0,0,0|1,0,2]=3 2 B14R1.42 COC1=C(O)C=CC(CC[N+](=O)[O-])=C1 19446 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 8183 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.42 COC1=C(O)C=CC(\C=C\[N+](=O)[O-])=C1 19447 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.511 O=C(O)CCC1=CC(O)=C(O)C=C1 35050 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.511 O=C(O)\C=C\C1=CC(Br)=C(F)C=C1 3228 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 8259 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(F)C=C1 4071 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 3107 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 8262 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 8229 [1,0,0,0,0,0|1,0,0]=2 12 B15R1.12854 COC1=C(OC)C=C(CCC(=O)O)C=C1 8272 [0,1,0,0,0,0|1,0,2]=4 13 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)Cl)C=C1 24289 [0,1,0,0,0,0|1,0,0]=2 14 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 30325 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.12854 COC1=C(OC)C=C(\C=C\C(=O)O)C=C1 8267 [0,1,0,0,0,0|1,0,0]=2 16 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 15777 [0,0,0,1,0,0|1,0,0]=2 17 B15R2.7688 CC(=O)CCC1=CC2=C(C=C1)OCO2 15363 [0,0,0,1,0,0|0,0,2]=3 18 B15R2.7688 O=C(O)CCC1=CC2=C(C=C1)OCO2 25778 [0,0,0,1,0,0|1,0,2]=4 19 B15R2.7688 O=C(O)\C=C\c1ccc2c(c1)OCO2 8286 [0,0,0,1,0,0|1,0,0]=2 20 B13R1.52 COC1=C(C)C=CC(CC(=O)O)=C1 31547 [0,0,0,0,1,0|2,0,1]=4 21 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 25281 [0,0,0,0,1,0|2,0,1]=4 22 B13R1.52 COC1=C(F)C=CC(CC(=O)O)=C1 31437 [0,0,0,0,1,0|2,0,1]=4 23 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 14403 [0,0,0,0,1,0|1,0,1]=3 24 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 21102 [2,0,0,0,0,0|0,0,2]=4 25 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 8253 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 3758 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 3630 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 3491 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 24323 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 8247 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 3757 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 3629 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 3489 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 4346 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 8222 [2,0,0,0,0,0|1,0,0]=3 36 B14R1.3653 COC1=C(F)C=C(\C=C\C(=O)O)C=C1 22612 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 8187 [1,1,0,0,0,0|1,0,0]=3 38 B14R1.3653 COC1=C(O)C=C(\C=C\[N+](=O)[O-])C=C1 19600 [1,1,0,0,0,0|2,0,0]=4 39 B14R1.3653 COc1ccc(\C=C\C(=O)O)cc1Br 31619 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.2335 COC1=CC(\C=C\C(=O)O)=C(F)C=C1 22762 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.439 CCOC1=C(O)C=CC(CC(=O)O)=C1 12537 [0,1,0,0,1,0|1,0,1]=4 42 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 12394 [0,1,0,0,1,0|1,0,1]=4 43 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 15020 [0,1,0,0,1,0|0,0,1]=3 44 B16R1.423 COC1=CC(\C=C\C(=O)O)=CC(OC)=C1O 25279 [0,2,0,0,0,0|1,0,0]=3 45 B16R1.15083 CCOC(=O)\C=C\C1=CC(OC)=C(O)C=C1 8150 [0,2,0,0,0,0|0,0,0]=2 46 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 13303 [1,0,0,1,0,0|1,0,0]=3 47 B14R2.8239 O=C1C=CC2=CC(O)=C(O)C=C2O1 10610 [1,0,0,1,0,0|1,0,0]=3 48 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 29076 [1,0,0,1,0,0|1,0,1]=4 49 B14R2.2332 COC1=CC=C2C=C(O)C=CC2=C1 2282 [1,0,0,1,0,0|0,0,2]=4 50 B14R2.2332 COC1=CC=C2CC(=O)CCC2=C1 13703 [1,0,0,1,0,0|0,0,2]=4 51 B14R2.2332 COC1=CC=C2CC(=O)COC2=C1 18378 [1,0,0,1,0,0|1,0,1]=4 52 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 5910 [1,0,0,1,0,0|1,0,0]=3 53 B14R2.11684 COC1=C2CC(=O)CCC2=CC=C1 17948 [1,0,0,1,0,0|0,0,2]=4 54 B14R2.11684 COC1=C2CC(=O)COC2=CC=C1 18372 [1,0,0,1,0,0|1,0,1]=4 55 B14R2.11684 COC1=C2N=C(Br)C=CC2=CC=C1 34483 [1,0,0,1,0,0|2,0,0]=4 56 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 44846 [0,0,0,1,1,0|1,0,1]=4 57 B14R2.1008 O=C(O)Cc1ccc2c(c1)OCO2 24196 [0,0,0,1,1,0|1,0,1]=4 58 B16R2.1461 COC1=C(OC)C=C2OC(=O)C=CC2=C1 13307 [0,1,0,1,0,0|1,0,0]=3 59 B12R1.19 CC(=O)NC1=CC(Cl)=C(O)C=C1 35738 [1,0,0,0,1,0|2,0,0]=4 60 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 31480 [1,0,0,0,1,0|1,0,1]=4 61 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 24320 [1,0,0,0,1,0|1,0,1]=4 62 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 19669 [1,0,0,0,1,0|1,0,1]=4 63 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 28267 [1,0,0,0,1,0|0,0,1]=3 64 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 3321 [1,0,0,0,1,0|1,0,0]=3 65 B12R1.438 COC1=CC=CC(OC(C)=O)=C1 3063 [1,0,0,0,1,0|1,0,0]=3 66 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 10658 [1,0,0,0,1,0|1,1,0]=4 67 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 24786 [0,0,0,0,2,0|2,0,0]=4 68 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 2672 [0,0,0,0,2,0|2,0,0]=4 69 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 31231 [0,0,0,0,2,0|1,0,0]=3 70 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 4565 [0,0,0,0,2,0|2,0,0]=4 71 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 1394 [0,0,0,0,2,0|2,0,0]=4 72 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 4234 [0,0,0,0,2,0|1,0,0]=3 73 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 3131 [0,0,0,0,2,0|2,0,0]=4 74 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 19485 [0,0,0,0,2,0|1,0,0]=3 75 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 3315 [0,0,0,0,2,0|0,0,0]=2 76 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 16519 [0,0,0,0,2,0|2,0,0]=4