0 B19R2.814602 CCOC1=C(C=C2C(=CC(=O)OC2=C1)C)OCC MCULE-8191969527 [0,0,0,0,0,0|0,0,0]=0 1 B19R2.814602 CCOC1=CC2=NC(=NC(=C2C=C1OCC)Cl)N MCULE-1097787433 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.13955 CCOC1=CC2=C(C=C1OCC)OC(=O)C=C2 MCULE-5279076930 [1,0,0,0,0,0|0,0,0]=1 3 B18R2.14406 CCOC1=C(C=C2C(=CC=NC2=C1)Cl)OCC MCULE-8731835994 [1,0,0,0,0,0|2,0,0]=3 4 B18R2.14406 CCOC1=C(C=C2C(=CC=NC2=C1)O)OCC MCULE-2443809687 [1,0,0,0,0,0|2,0,0]=3 5 B18R2.14406 CCOC1=CC2=C(C=C1OCC)C(=NCC2)C MCULE-9935515349 [1,0,0,0,0,0|2,0,1]=4 6 B18R2.14406 CCOC1=CC2=C(C=C1OCC)C(=O)NC=N2 MCULE-1690453532 [1,0,0,0,0,0|3,0,0]=4 7 B18R2.14406 CCOC1=CC2=NC=NC(=C2C=C1OCC)Cl MCULE-5843745312 [1,0,0,0,0,0|3,0,0]=4 8 B18R2.46694 CCOC1=CC2=C(C=C1CC)C(=CC(=O)O2)C MCULE-6584061050 [1,0,0,0,0,0|0,0,0]=1 9 B18R1.596619 CCOC1=CC(=C(C=C1C(=O)C)OCC)OCC MCULE-7162889221 [0,0,1,0,0,0|2,0,1]=4 10 B17R1.11913 CCOC1=C(C=C(C=C1)/C=C/N(=O)=O)OCC MCULE-4024827855 [1,0,1,0,0,0|1,0,1]=4 11 B17R1.11913 CCOC1=C(C=C(C=C1)C=C[N+](=O)[O-])OCC MCULE-9789266056 [1,0,1,0,0,0|1,0,1]=4 12 B17R1.11913 CCOC1=CC=C(C=C1OCC)C=CC(=O)O MCULE-9156764072 [1,0,1,0,0,0|0,0,0]=2 13 B17R1.11913 CCOC1=CC=C(C=C1OCC)CCC(=O)O MCULE-2691493777 [1,0,1,0,0,0|0,0,2]=4 14 B17R2.4715 CCOC1=CC2=C(C=C1OCC)N=CC=N2 MCULE-6611755980 [2,0,0,0,0,0|2,0,0]=4 15 B17R2.9660 CCCC1=C(C=C2OC(=O)C=CC2=C1)OC MCULE-9374810339 [2,0,0,0,0,0|1,0,0]=3 16 B17R2.29149 CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C MCULE-4816461168 [2,0,0,0,0,0|1,0,0]=3 17 B17R2.29149 CCOC1=C(C=C2C(=CC(=O)OC2=C1)C)Cl MCULE-3467226616 [2,0,0,0,0,0|1,0,0]=3 18 B17R2.139606 COC1=C(C=C2C(=CC(=NC2=C1)Cl)C)OC MCULE-5356076411 [2,0,0,0,0,0|2,0,0]=4 19 B17R2.139606 COC1=C(C=C2C(=CC(=O)NC2=C1)C)OC MCULE-9949317463 [2,0,0,0,0,0|1,0,0]=3 20 B17R2.139606 COC1=C(C=C2C(=CC(=O)NC2=C1)Cl)OC MCULE-7358058130 [2,0,0,0,0,0|2,0,0]=4 21 B17R2.139606 COC1=C(C=C2C(=CC(=O)NC2=C1)O)OC MCULE-6410568511 [2,0,0,0,0,0|2,0,0]=4 22 B17R2.139606 COC1=CC2=C(C=C1C=O)C(=CC(=O)O2)C MCULE-7249171264 [2,0,0,0,0,0|1,0,1]=4 23 B17R2.139606 COC1=CC2=C(C=C1OC)C(=CC(=O)O2)C MCULE-4576976946 [2,0,0,0,0,0|0,0,0]=2 24 B17R2.222596 CCOC1=CC2=C(C=C1Cl)OC(=O)C=C2C MCULE-6464808265 [2,0,0,0,0,0|1,0,0]=3 25 B19R1.306203 CCOC1=CC=C(C=C1OCC)C(CN)CC(=O)O MCULE-2822176047 [0,1,1,0,0,0|0,0,2]=4 26 B19R2.138740 C=CCOC1=CC2=C(C=C1CC)C(=CC(=O)O2)C MCULE-9942248923 [1,1,0,0,0,0|0,0,1]=3 27 B19R2.138740 CCC1=CC2=C(C=C1OCCBr)OC(=O)C=C2C MCULE-9911405590 [1,1,0,0,0,0|0,0,0]=2 28 B19R2.692967 CCOC1=CC2=C(C=C1N(=O)=O)C(=CC(=O)O2)C MCULE-8584948962 [1,1,0,0,0,0|2,0,0]=4 29 B19R2.1605136 CCC1=CC2=C(C=C1OC(=O)C)OC(=O)C=C2C MCULE-2718051756 [1,1,0,0,0,0|0,0,1]=3 30 B19R2.495561 COC1=C(C=C2C(=CC(=O)OC2=C1)C)OCCBr MCULE-3879627315 [1,1,0,0,0,0|0,0,0]=2 31 B19R2.2400903 COC(=O)C1=C(C=C2OC(=O)C=C(C2=C1)C)OC MCULE-2976897763 [1,1,0,0,0,0|2,0,0]=4 32 B21R2.14572058 CCOC1=C(C=C2C(=CC(=O)OC2=C1C)C)C(=O)CC MCULE-6144636957 [0,2,0,0,0,0|1,0,0]=3 33 B21R2.728026 C=CCOC1=CC2=C(C=C1OCC=C)C(=CC(=O)O2)C MCULE-3247335046 [0,2,0,0,0,0|0,0,2]=4 34 B21R2.60750608 CC(=O)OC1=CC2=C(C=C1OC(=O)C)C(=CC(=O)O2)C MCULE-3403054851 [0,2,0,0,0,0|0,0,2]=4 35 B19R2.119345 CCOC1=C(C=C(C=C1)C2=NOC(=C2)N)OCC MCULE-9515763365 [0,0,1,1,0,0|2,0,0]=4 36 B19R2.119345 CCOC1=C(C=C(C=C1)C2=NOC(=C2)O)OCC MCULE-2016262046 [0,0,1,1,0,0|1,0,1]=4 37 B19R3.7792947 CC1=CC(=O)OC2=CC3=C(C=C12)CCC(=O)O3 MCULE-4617129739 [1,0,0,1,0,0|1,0,1]=4 38 B19R3.8155948 CC1=CC(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C MCULE-9132040179 [1,0,0,1,0,0|0,0,2]=4 39 B19R1.211532 CCOC1=C(C=C(C=C1)C(=O)CCC(=O)O)OCC MCULE-6221640414 [0,0,1,0,0,1|1,0,1]=4 40 B19R1.211532 CCOC1=C(C=C(C=C1)C(=O)NCC(=O)O)OCC MCULE-9988970040 [0,0,1,0,0,1|1,0,1]=4 41 B19R2.693047 CCOC1=CC(=C2C(=CC(=O)OC2=C1)C)OCC MCULE-5013509335 [0,0,0,0,1,1|0,0,0]=2