0 B25R3.4087860 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3)OCC MCULE-1139201742 [0,0,0,0,0,0|1,0,0]=1 1 B25R3.4087860 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CN=C3)OCC MCULE-6967984025 [0,0,0,0,0,0|2,0,0]=2 2 B25R3.4087860 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=NC=CC=C3)OCC MCULE-6345777036 [0,0,0,0,0,0|2,0,0]=2 3 B25R3.4087860 CCOC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CN=C3)OCC MCULE-9159299628 [0,0,0,0,0,0|4,0,0]=4 4 B25R3.4087860 CCOC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=NC=C3)OCC MCULE-6273584681 [0,0,0,0,0,0|2,0,0]=2 5 B25R3.4087860 CCOC1=CC=C(C=C1OCC)C2=CNC(=N2)C3=CC=CC=N3 MCULE-3099170124 [0,0,0,0,0,0|3,0,1]=4 6 B25R3.4087860 CCOC1=CC=C(C=C1OCC)C2=CNC(=N2)C3=CC=NC=C3 MCULE-4265958013 [0,0,0,0,0,0|1,0,1]=2 7 B25R3.4087860 CCOC1=CC=C(C=C1OCC)C2=NC(=NO2)C3=CC=NC=C3 MCULE-1622772288 [0,0,0,0,0,0|0,0,0]=0 8 B25R3.4087860 CCOC1=CC=C(C=C1OCC)C2=NN=C(O2)C3=CC=NC=C3 MCULE-9534584974 [0,0,0,0,0,0|2,0,0]=2 9 B24R3.20418 CCOC1=CC=C(C=C1OC)C2=NOC(=N2)C3=CC=NC=C3 MCULE-9975334459 [1,0,0,0,0,0|2,0,0]=3 10 B24R3.67884 CCOC1=C(C=CC(=C1)C2=NOC(=N2)C3=CC=NC=C3)OC MCULE-2187043293 [1,0,0,0,0,0|2,0,0]=3 11 B26R3.99936 CCOC1=C(C=CC(=C1)C2=NN=C(O2)C3=CC=NC=C3)OC(F)F MCULE-5366234819 [0,1,0,0,0,0|3,0,0]=4 12 B26R3.4711260 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Br)OCC MCULE-4889340887 [0,1,0,0,0,0|1,0,0]=2 13 B26R3.4711260 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C)OCC MCULE-8123222210 [0,1,0,0,0,0|1,0,0]=2 14 B26R3.4711260 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl)OCC MCULE-1924650071 [0,1,0,0,0,0|1,0,0]=2 15 B26R3.4711260 CCOC1=CC=C(C=C1OCC)C2=NN=C(O2)C3=CC=C(C=C3)Br MCULE-8801866541 [0,1,0,0,0,0|3,0,0]=4 16 B26R3.41937098 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC(=C3)Br)OCC MCULE-8250311766 [0,1,0,0,0,0|1,0,0]=2 17 B26R3.41937098 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC(=C3)C)OCC MCULE-3972205101 [0,1,0,0,0,0|1,0,0]=2 18 B26R3.41937098 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC(=C3)N)OCC MCULE-6334208053 [0,1,0,0,0,0|1,0,0]=2 19 B26R3.41937098 CCOC1=CC=C(C=C1OCC)C2=NN=C(O2)C3=CC(=CC=C3)C MCULE-2577428076 [0,1,0,0,0,0|3,0,0]=4 20 B26R3.41937106 CCOC1=CC=C(C=C1OCC)C2=NC(=NO2)C3=CC=CN=C3Cl MCULE-5119226263 [0,1,0,0,0,0|2,0,0]=3 21 B24R2.8767111 CCOC1=CC=C(C=C1OCC)C=NNC(=O)C2=CC=NC=C2 MCULE-2460440450 [0,0,1,0,0,0|2,0,1]=4 22 B24R3.517374 CCOC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CO3)OCC MCULE-7999984880 [0,0,0,0,1,0|3,0,0]=4 23 B24R3.517374 CCOC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CS3)OCC MCULE-1447050788 [0,0,0,0,1,0|3,0,0]=4 24 B24R3.517374 CCOC1=CC=C(C=C1OCC)C2=CNC(=N2)C3=COC=C3 MCULE-7193394113 [0,0,0,0,1,0|2,0,1]=4 25 B24R3.517374 CCOC1=CC=C(C=C1OCC)C2=NN=C(O2)C3=CC=CO3 MCULE-7550130522 [0,0,0,0,1,0|3,0,0]=4 26 B24R3.517374 CCOC1=CC=C(C=C1OCC)C2=NN=C(O2)C3=CC=CS3 MCULE-9772398678 [0,0,0,0,1,0|3,0,0]=4 27 B26R3.3573763 CCOC1=CC=C(C=C1OCC)CC2=NC(=NO2)C3=CC=NC=C3 MCULE-6615671202 [0,0,0,0,0,1|0,0,0]=1 28 B23R3.4799 COC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC=C3)OC MCULE-1487542612 [2,0,0,0,0,0|1,0,0]=3 29 B23R3.4799 COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=NC=C3)OC MCULE-8052309946 [2,0,0,0,0,0|2,0,0]=4 30 B23R3.4799 COC1=C(C=C(C=C1)C2=NNC(=N2)C3=CC=NC=C3)OC MCULE-6697707862 [2,0,0,0,0,0|1,0,1]=4 31 B23R3.4799 COC1=CC=C(C=C1OC)C2=NC(=NO2)C3=CC=CC=N3 MCULE-3155564003 [2,0,0,0,0,0|2,0,0]=4 32 B23R3.4799 COC1=CC=C(C=C1OC)C2=NC(=NO2)C3=CC=NC=C3 MCULE-8732701245 [2,0,0,0,0,0|0,0,0]=2 33 B23R3.4799 COC1=CC=C(C=C1OC)C2=NC(=NO2)C3=CN=CC=C3 MCULE-8974310719 [2,0,0,0,0,0|2,0,0]=4 34 B25R2.11658883 CCOC1=CC=C(C=C1OCC)C(=O)O/N=C(\N)/C2=CC=CC=C2 MCULE-9431955375 [0,1,1,0,0,0|1,0,1]=4 35 B25R2.11658883 CCOC1=CC=C(C=C1OCC)C(=O)O/N=C(\N)/C2=CC=NC=C2 MCULE-3261454022 [0,1,1,0,0,0|0,0,1]=3 36 B25R3.3210842 CCOC1=C(C(=CC(=C1)C2=NOC(=N2)C3=CC=NC=C3)Br)OC MCULE-4220123409 [1,1,0,0,0,0|2,0,0]=4 37 B27R3.47001960 CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)OC)OCC MCULE-6829639477 [0,2,0,0,0,0|1,0,0]=3 38 B27R3.3929256 CCOC1=C(C=C(C=C1)C=CC2=NC(=NO2)C3=CC=CC=C3)OCC MCULE-3581161705 [0,0,0,0,0,2|1,0,0]=3